Detailed results of DHR29B_R3_em_bcr3 by PSVS
Output from PDBStat
Constraints analysis
table of NOE constraints
# -------------- SUMMARY OF RESTRAINTS ---------------
# TOTAL NUMBER OF NOE RESTRAINTS : 793
# INTRA-RESIDUE RESTRAINTS (I=J) : 157
# SEQUENTIAL RESTRAINTS (I-J)=1 : 225
# BACKBONE-BACKBONE : 83
# BACKBONE-SIDE CHAIN : 30
# SIDE CHAIN-SIDE CHAIN : 112
# MEDIUM RANGE RESTRAINTS 1<(I-J)<5 : 75
# BACKBONE-BACKBONE : 14
# BACKBONE-SIDE CHAIN : 7
# SIDE CHAIN-SIDE CHAIN : 54
# LONG RANGE RESTRAINTS (I-J)>=5 : 336
# TOTAL HYDROGEN BOND RESTRAINTS : 0
# LONG RANGE H-BOND RESTR. (I-J)>=5 : 0
# DISULFIDE RESTRAINTS : 0
# INTRA-CHAIN RESTRAINTS : 793
# INTER-CHAIN RESTRAINTS : 0
# AMBIGUOUS RESTRAINTS : 0
# -----------------------------------------------------
# -----------------------------------------------------
# -----------------------------------------------------
# RES # INTRA INTER seq med lng InterChain
SER 1 0 0.0 0.0 0.0 0.0 0.0
SER 2 0 0.0 0.0 0.0 0.0 0.0
GLN 3 0 0.0 0.0 0.0 0.0 0.0
THR 4 0 0.0 0.0 0.0 0.0 0.0
LEU 5 0 0.0 0.0 0.0 0.0 0.0
ASP 6 0 0.0 0.0 0.0 0.0 0.0
ARG 7 0 0.5 0.0 0.0 0.5 0.0
ASP 8 0 1.5 0.5 0.0 1.0 0.0
PRO 9 0 2.5 1.0 0.0 1.5 0.0
THR 10 2 8.0 1.5 0.5 6.0 0.0
LEU 11 6 7.5 2.5 0.0 5.0 0.0
THR 12 2 6.5 3.0 0.5 3.0 0.0
LEU 13 4 12.5 3.0 0.0 9.5 0.0
SER 14 0 4.5 2.5 0.0 2.0 0.0
LEU 15 6 15.5 3.5 0.0 12.0 0.0
ILE 16 4 12.0 5.5 0.5 6.0 0.0
ALA 17 0 12.0 3.0 1.5 7.5 0.0
LYS 18 4 7.0 1.0 1.0 5.0 0.0
ASN 19 1 2.5 1.5 0.0 1.0 0.0
THR 20 1 10.5 1.0 3.5 6.0 0.0
PRO 21 0 3.5 1.5 0.0 2.0 0.0
ALA 22 0 3.0 2.0 1.0 0.0 0.0
ASN 23 1 3.0 2.0 0.0 1.0 0.0
SER 24 0 7.0 2.0 2.5 2.5 0.0
MET 25 2 7.5 2.5 0.5 4.5 0.0
ILE 26 6 18.5 4.5 4.0 10.0 0.0
MET 27 4 6.0 4.0 0.5 1.5 0.0
THR 28 2 9.5 3.0 2.0 4.5 0.0
LYS 29 1 3.0 3.0 0.0 0.0 0.0
LEU 30 6 10.5 2.5 2.0 6.0 0.0
PRO 31 0 7.0 2.5 0.0 4.5 0.0
SER 32 0 3.0 1.5 0.0 1.5 0.0
VAL 33 2 11.5 3.5 0.0 8.0 0.0
ARG 34 3 11.5 5.0 0.0 6.5 0.0
VAL 35 2 11.5 3.0 0.0 8.5 0.0
LYS 36 2 10.5 2.5 0.0 8.0 0.0
THR 37 1 12.5 3.5 0.0 9.0 0.0
GLU 38 0 8.0 2.5 0.0 5.5 0.0
GLY 39 0 2.5 1.0 0.0 1.5 0.0
TYR 40 2 4.5 2.0 0.0 2.5 0.0
ASN 41 1 6.0 2.0 2.0 2.0 0.0
PRO 42 0 1.5 1.5 0.0 0.0 0.0
SER 43 0 3.0 2.5 0.5 0.0 0.0
ILE 44 4 9.0 4.0 3.0 2.0 0.0
ASN 45 2 4.5 3.0 1.5 0.0 0.0
VAL 46 4 9.5 2.5 6.5 0.5 0.0
ASN 47 2 4.5 2.5 2.0 0.0 0.0
GLU 48 1 4.0 2.5 1.5 0.0 0.0
LEU 49 7 10.5 3.5 5.0 2.0 0.0
PHE 50 2 8.0 2.0 0.0 6.0 0.0
ALA 51 0 9.0 0.5 0.0 8.5 0.0
TYR 52 2 11.0 2.5 0.0 8.5 0.0
VAL 53 2 14.5 4.5 2.0 8.0 0.0
ASP 54 0 5.0 3.0 0.5 1.5 0.0
LEU 55 6 15.5 1.5 2.0 12.0 0.0
SER 56 0 3.5 1.5 0.5 1.5 0.0
GLY 57 0 1.5 1.5 0.0 0.0 0.0
SER 58 0 3.0 1.5 0.0 1.5 0.0
GLU 59 1 1.5 1.5 0.0 0.0 0.0
PRO 60 0 3.0 1.0 0.0 2.0 0.0
GLY 61 0 3.0 1.0 0.0 2.0 0.0
GLU 62 1 5.0 1.5 0.0 3.5 0.0
HIS 63 0 5.0 1.5 1.0 2.5 0.0
ASP 64 0 3.5 1.0 0.0 2.5 0.0
TYR 65 3 11.5 1.0 1.0 9.5 0.0
GLU 66 2 5.5 2.0 0.0 3.5 0.0
VAL 67 1 10.5 4.0 0.5 6.0 0.0
LYS 68 3 5.5 4.0 0.0 1.5 0.0
VAL 69 2 9.0 3.5 0.5 5.0 0.0
GLU 70 1 5.5 3.0 0.0 2.5 0.0
PRO 71 0 3.0 2.0 0.0 1.0 0.0
ILE 72 3 7.0 1.5 4.0 1.5 0.0
PRO 73 0 1.5 1.0 0.5 0.0 0.0
ASN 74 1 1.0 1.0 0.0 0.0 0.0
ILE 75 5 14.5 2.5 4.5 7.5 0.0
LYS 76 3 7.5 4.0 1.0 2.5 0.0
ILE 77 4 13.5 5.5 1.5 6.5 0.0
VAL 78 2 16.5 6.0 1.0 9.5 0.0
GLU 79 1 7.5 4.0 1.5 2.0 0.0
ILE 80 3 5.5 3.5 0.5 1.5 0.0
SER 81 0 4.5 3.0 0.5 1.0 0.0
PRO 82 0 7.0 2.5 2.5 2.0 0.0
ARG 83 4 6.5 5.0 1.0 0.5 0.0
VAL 84 1 15.0 7.0 2.0 6.0 0.0
VAL 85 2 14.0 6.5 2.5 5.0 0.0
THR 86 2 9.0 4.5 1.0 3.5 0.0
LEU 87 6 14.0 3.0 1.0 10.0 0.0
GLN 88 2 8.0 2.5 0.0 5.5 0.0
LEU 89 6 19.0 3.5 0.0 15.5 0.0
GLU 90 0 6.5 3.0 0.0 3.5 0.0
HIS 91 1 2.5 1.5 0.0 1.0 0.0
HIS 92 0 3.5 1.0 0.0 2.5 0.0
HIS 93 0 0.0 0.0 0.0 0.0 0.0
HIS 94 0 0.0 0.0 0.0 0.0 0.0
HIS 95 0 0.0 0.0 0.0 0.0 0.0
HIS 96 0 0.0 0.0 0.0 0.0 0.0
# TOTAL 157 636.0 225.0 75.0 336.0 0.0
# TOTAL NUMBER OF RESTRAINTS (CHECKING): 793.0
List of conformationally-resticting NOE constraints
assign ((resid 19 and name HN )) ( (resid 20 and name HN )) 1.80 0.00 1.70
assign ((resid 23 and name HN )) ( (resid 24 and name HN )) 1.80 0.00 3.20
assign ((resid 27 and name HN )) ( (resid 28 and name HN )) 1.80 0.00 1.70
assign ((resid 28 and name HN )) ( (resid 29 and name HN )) 1.80 0.00 3.20
assign ((resid 39 and name HN )) ( (resid 40 and name HN )) 1.80 0.00 3.20
assign ((resid 40 and name HN )) ( (resid 41 and name HN )) 1.80 0.00 3.20
assign ((resid 43 and name HN )) ( (resid 44 and name HN )) 1.80 0.00 1.70
assign ((resid 44 and name HN )) ( (resid 45 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HN )) ( (resid 47 and name HN )) 1.80 0.00 1.70
assign ((resid 47 and name HN )) ( (resid 48 and name HN )) 1.80 0.00 1.70
assign ((resid 48 and name HN )) ( (resid 49 and name HN )) 1.80 0.00 1.70
assign ((resid 54 and name HN )) ( (resid 55 and name HN )) 1.80 0.00 3.20
assign ((resid 55 and name HN )) ( (resid 56 and name HN )) 1.80 0.00 3.20
assign ((resid 56 and name HN )) ( (resid 57 and name HN )) 1.80 0.00 3.20
assign ((resid 57 and name HN )) ( (resid 58 and name HN )) 1.80 0.00 3.20
assign ((resid 58 and name HN )) ( (resid 59 and name HN )) 1.80 0.00 3.20
assign ((resid 69 and name HN )) ( (resid 70 and name HN )) 1.80 0.00 3.20
assign ((resid 74 and name HN )) ( (resid 75 and name HN )) 1.80 0.00 3.20
assign ((resid 79 and name HN )) ( (resid 80 and name HN )) 1.80 0.00 3.20
assign ((resid 83 and name HN )) ( (resid 84 and name HN )) 1.80 0.00 1.20
assign ((resid 90 and name HN )) ( (resid 91 and name HN )) 1.80 0.00 3.20
assign ((resid 91 and name HN )) ( (resid 92 and name HN )) 1.80 0.00 3.20
assign ((resid 78 and name HN )) ( (resid 79 and name HN )) 1.80 0.00 1.20
assign ((resid 46 and name HN )) ( (resid 48 and name HN )) 1.80 0.00 3.20
assign ((resid 47 and name HN )) ( (resid 49 and name HN )) 1.80 0.00 3.20
assign ((resid 9 and name HA )) ( (resid 10 and name HN )) 1.80 0.00 1.10
assign ((resid 10 and name HA )) ( (resid 11 and name HN )) 1.80 0.00 1.70
assign ((resid 11 and name HA )) ( (resid 12 and name HN )) 1.80 0.00 1.70
assign ((resid 12 and name HA )) ( (resid 13 and name HN )) 1.80 0.00 1.70
assign ((resid 13 and name HA )) ( (resid 14 and name HN )) 1.80 0.00 1.10
assign ((resid 14 and name HA )) ( (resid 15 and name HN )) 1.80 0.00 1.10
assign ((resid 15 and name HA )) ( (resid 16 and name HN )) 1.80 0.00 1.70
assign ((resid 16 and name HA )) ( (resid 17 and name HN )) 1.80 0.00 1.10
assign ((resid 18 and name HA )) ( (resid 19 and name HN )) 1.80 0.00 1.70
assign ((resid 21 and name HA )) ( (resid 22 and name HN )) 1.80 0.00 1.10
assign ((resid 23 and name HA )) ( (resid 24 and name HN )) 1.80 0.00 1.70
assign ((resid 24 and name HA )) ( (resid 25 and name HN )) 1.80 0.00 1.70
assign ((resid 25 and name HA )) ( (resid 26 and name HN )) 1.80 0.00 1.10
assign ((resid 26 and name HA )) ( (resid 27 and name HN )) 1.80 0.00 1.70
assign ((resid 28 and name HA )) ( (resid 29 and name HN )) 1.80 0.00 1.10
assign ((resid 29 and name HA )) ( (resid 30 and name HN )) 1.80 0.00 1.10
assign ((resid 31 and name HA )) ( (resid 32 and name HN )) 1.80 0.00 1.10
assign ((resid 32 and name HA )) ( (resid 33 and name HN )) 1.80 0.00 1.70
assign ((resid 33 and name HA )) ( (resid 34 and name HN )) 1.80 0.00 1.70
assign ((resid 34 and name HA )) ( (resid 35 and name HN )) 1.80 0.00 1.10
assign ((resid 35 and name HA )) ( (resid 36 and name HN )) 1.80 0.00 1.70
assign ((resid 36 and name HA )) ( (resid 37 and name HN )) 1.80 0.00 1.10
assign ((resid 37 and name HA )) ( (resid 38 and name HN )) 1.80 0.00 1.70
assign ((resid 38 and name HA )) ( (resid 39 and name HN )) 1.80 0.00 1.10
assign ((resid 40 and name HA )) ( (resid 41 and name HN )) 1.80 0.00 1.10
assign ((resid 44 and name HA )) ( (resid 45 and name HN )) 1.80 0.00 1.10
assign ((resid 45 and name HA )) ( (resid 46 and name HN )) 1.80 0.00 1.70
assign ((resid 49 and name HA )) ( (resid 50 and name HN )) 1.80 0.00 1.10
assign ((resid 50 and name HA )) ( (resid 51 and name HN )) 1.80 0.00 1.70
assign ((resid 52 and name HA )) ( (resid 53 and name HN )) 1.80 0.00 1.70
assign ((resid 53 and name HA )) ( (resid 54 and name HN )) 1.80 0.00 1.70
assign ((resid 54 and name HA )) ( (resid 55 and name HN )) 1.80 0.00 1.70
assign ((resid 56 and name HA )) ( (resid 57 and name HN )) 1.80 0.00 1.70
assign ((resid 58 and name HA )) ( (resid 59 and name HN )) 1.80 0.00 1.70
assign ((resid 60 and name HA )) ( (resid 61 and name HN )) 1.80 0.00 1.70
assign ((resid 61 and name HA# )) ( (resid 62 and name HN )) 1.80 0.00 1.70
assign ((resid 62 and name HA )) ( (resid 63 and name HN )) 1.80 0.00 1.70
assign ((resid 63 and name HA )) ( (resid 64 and name HN )) 1.80 0.00 1.10
assign ((resid 64 and name HA )) ( (resid 65 and name HN )) 1.80 0.00 1.10
assign ((resid 65 and name HA )) ( (resid 66 and name HN )) 1.80 0.00 1.70
assign ((resid 66 and name HA )) ( (resid 67 and name HN )) 1.80 0.00 1.70
assign ((resid 67 and name HA )) ( (resid 68 and name HN )) 1.80 0.00 1.70
assign ((resid 68 and name HA )) ( (resid 69 and name HN )) 1.80 0.00 1.70
assign ((resid 69 and name HA )) ( (resid 70 and name HN )) 1.80 0.00 1.10
assign ((resid 71 and name HA )) ( (resid 72 and name HN )) 1.80 0.00 1.70
assign ((resid 73 and name HA )) ( (resid 74 and name HN )) 1.80 0.00 1.10
assign ((resid 75 and name HA )) ( (resid 76 and name HN )) 1.80 0.00 1.70
assign ((resid 76 and name HA )) ( (resid 77 and name HN )) 1.80 0.00 1.10
assign ((resid 77 and name HA )) ( (resid 78 and name HN )) 1.80 0.00 1.70
assign ((resid 79 and name HA )) ( (resid 80 and name HN )) 1.80 0.00 1.10
assign ((resid 80 and name HA )) ( (resid 81 and name HN )) 1.80 0.00 1.70
assign ((resid 82 and name HA )) ( (resid 83 and name HN )) 1.80 0.00 1.70
assign ((resid 84 and name HA )) ( (resid 85 and name HN )) 1.80 0.00 1.10
assign ((resid 85 and name HA )) ( (resid 86 and name HN )) 1.80 0.00 1.70
assign ((resid 86 and name HA )) ( (resid 87 and name HN )) 1.80 0.00 1.10
assign ((resid 87 and name HA )) ( (resid 88 and name HN )) 1.80 0.00 1.70
assign ((resid 88 and name HA )) ( (resid 89 and name HN )) 1.80 0.00 1.70
assign ((resid 89 and name HA )) ( (resid 90 and name HN )) 1.80 0.00 1.70
assign ((resid 91 and name HA )) ( (resid 92 and name HN )) 1.80 0.00 1.70
assign ((resid 18 and name HA )) ( (resid 20 and name HN )) 1.80 0.00 3.20
assign ((resid 22 and name HA )) ( (resid 24 and name HN )) 1.80 0.00 3.20
assign ((resid 41 and name HA )) ( (resid 43 and name HN )) 1.80 0.00 3.20
assign ((resid 45 and name HA )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 48 and name HN )) 1.80 0.00 3.20
assign ((resid 47 and name HA )) ( (resid 49 and name HN )) 1.80 0.00 3.20
assign ((resid 54 and name HA )) ( (resid 56 and name HN )) 1.80 0.00 3.20
assign ((resid 73 and name HA )) ( (resid 75 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HA )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 81 and name HA )) ( (resid 83 and name HN )) 1.80 0.00 3.20
assign ((resid 82 and name HA )) ( (resid 84 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 49 and name HN )) 1.80 0.00 3.20
assign ((resid 16 and name HB )) ( (resid 17 and name HN )) 1.80 0.00 1.70
assign ((resid 26 and name HB )) ( (resid 27 and name HN )) 1.80 0.00 3.20
assign ((resid 28 and name HB )) ( (resid 29 and name HN )) 1.80 0.00 3.20
assign ((resid 33 and name HB )) ( (resid 34 and name HN )) 1.80 0.00 3.20
assign ((resid 37 and name HB )) ( (resid 38 and name HN )) 1.80 0.00 1.70
assign ((resid 44 and name HB )) ( (resid 45 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HB )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 53 and name HB )) ( (resid 54 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HB )) ( (resid 78 and name HN )) 1.80 0.00 3.20
assign ((resid 78 and name HB )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 80 and name HB )) ( (resid 81 and name HN )) 1.80 0.00 3.20
assign ((resid 83 and name HB# )) ( (resid 84 and name HN )) 1.80 0.00 1.70
assign ((resid 84 and name HB )) ( (resid 85 and name HN )) 1.80 0.00 3.20
assign ((resid 85 and name HB )) ( (resid 86 and name HN )) 1.80 0.00 3.20
assign ((resid 86 and name HB )) ( (resid 87 and name HN )) 1.80 0.00 3.20
assign ((resid 10 and name HG2# )) ( (resid 11 and name HN )) 1.80 0.00 3.20
assign ((resid 11 and name HG )) ( (resid 12 and name HN )) 1.80 0.00 3.20
assign ((resid 11 and name HD2# )) ( (resid 12 and name HN )) 1.80 0.00 3.20
assign ((resid 12 and name HG2# )) ( (resid 13 and name HN )) 1.80 0.00 3.20
assign ((resid 13 and name HD2# )) ( (resid 14 and name HN )) 1.80 0.00 3.20
assign ((resid 15 and name HG )) ( (resid 16 and name HN )) 1.80 0.00 3.20
assign ((resid 15 and name HD1# )) ( (resid 16 and name HN )) 1.80 0.00 3.20
assign ((resid 16 and name HG1# )) ( (resid 17 and name HN )) 1.80 0.00 3.20
assign ((resid 16 and name HG2# )) ( (resid 17 and name HN )) 1.80 0.00 3.20
assign ((resid 16 and name HD1# )) ( (resid 17 and name HN )) 1.80 0.00 3.20
assign ((resid 18 and name HG# )) ( (resid 19 and name HN )) 1.80 0.00 3.20
assign ((resid 25 and name HG# )) ( (resid 26 and name HN )) 1.80 0.00 3.20
assign ((resid 26 and name HG1# )) ( (resid 27 and name HN )) 1.80 0.00 3.20
assign ((resid 26 and name HG2# )) ( (resid 27 and name HN )) 1.80 0.00 3.20
assign ((resid 28 and name HG2# )) ( (resid 29 and name HN )) 1.80 0.00 3.20
assign ((resid 29 and name HG# )) ( (resid 30 and name HN )) 1.80 0.00 3.20
assign ((resid 31 and name HG# )) ( (resid 32 and name HN )) 1.80 0.00 3.20
assign ((resid 33 and name HG1# )) ( (resid 34 and name HN )) 1.80 0.00 3.20
assign ((resid 33 and name HG2# )) ( (resid 34 and name HN )) 1.80 0.00 3.20
assign ((resid 34 and name HG# )) ( (resid 35 and name HN )) 1.80 0.00 3.20
assign ((resid 35 and name HG1# )) ( (resid 36 and name HN )) 1.80 0.00 3.20
assign ((resid 36 and name HG# )) ( (resid 37 and name HN )) 1.80 0.00 3.20
assign ((resid 36 and name HD# )) ( (resid 37 and name HN )) 1.80 0.00 3.20
assign ((resid 37 and name HG2# )) ( (resid 38 and name HN )) 1.80 0.00 3.20
assign ((resid 40 and name HD# )) ( (resid 41 and name HN )) 1.80 0.00 3.20
assign ((resid 42 and name HG# )) ( (resid 43 and name HN )) 1.80 0.00 3.20
assign ((resid 42 and name HD# )) ( (resid 43 and name HN )) 1.80 0.00 3.20
assign ((resid 44 and name HG1# )) ( (resid 45 and name HN )) 1.80 0.00 3.20
assign ((resid 44 and name HG2# )) ( (resid 45 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HG1# )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 46 and name HG2# )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 48 and name HG# )) ( (resid 49 and name HN )) 1.80 0.00 3.20
assign ((resid 49 and name HD1# )) ( (resid 50 and name HN )) 1.80 0.00 3.20
assign ((resid 49 and name HD2# )) ( (resid 50 and name HN )) 1.80 0.00 3.20
assign ((resid 52 and name HD# )) ( (resid 53 and name HN )) 1.80 0.00 3.20
assign ((resid 53 and name HG1# )) ( (resid 54 and name HN )) 1.80 0.00 3.20
assign ((resid 53 and name HG2# )) ( (resid 54 and name HN )) 1.80 0.00 3.20
assign ((resid 62 and name HG# )) ( (resid 63 and name HN )) 1.80 0.00 3.20
assign ((resid 66 and name HG# )) ( (resid 67 and name HN )) 1.80 0.00 3.20
assign ((resid 67 and name HG1# )) ( (resid 68 and name HN )) 1.80 0.00 3.20
assign ((resid 67 and name HG2# )) ( (resid 68 and name HN )) 1.80 0.00 3.20
assign ((resid 68 and name HG# )) ( (resid 69 and name HN )) 1.80 0.00 3.20
assign ((resid 69 and name HG1# )) ( (resid 70 and name HN )) 1.80 0.00 3.20
assign ((resid 69 and name HG2# )) ( (resid 70 and name HN )) 1.80 0.00 3.20
assign ((resid 75 and name HG2# )) ( (resid 76 and name HN )) 1.80 0.00 3.20
assign ((resid 75 and name HD1# )) ( (resid 76 and name HN )) 1.80 0.00 3.20
assign ((resid 76 and name HG# )) ( (resid 77 and name HN )) 1.80 0.00 3.20
assign ((resid 76 and name HD# )) ( (resid 77 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HG1# )) ( (resid 78 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HG2# )) ( (resid 78 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HD1# )) ( (resid 78 and name HN )) 1.80 0.00 3.20
assign ((resid 78 and name HG1# )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 78 and name HG2# )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 79 and name HG# )) ( (resid 80 and name HN )) 1.80 0.00 3.20
assign ((resid 80 and name HG2# )) ( (resid 81 and name HN )) 1.80 0.00 3.20
assign ((resid 84 and name HG1# )) ( (resid 85 and name HN )) 1.80 0.00 3.20
assign ((resid 84 and name HG2# )) ( (resid 85 and name HN )) 1.80 0.00 3.20
assign ((resid 85 and name HG1# )) ( (resid 86 and name HN )) 1.80 0.00 3.20
assign ((resid 85 and name HG2# )) ( (resid 86 and name HN )) 1.80 0.00 3.20
assign ((resid 86 and name HG2# )) ( (resid 87 and name HN )) 1.80 0.00 3.20
assign ((resid 87 and name HD2# )) ( (resid 88 and name HN )) 1.80 0.00 3.20
assign ((resid 88 and name HG# )) ( (resid 89 and name HN )) 1.80 0.00 3.20
assign ((resid 89 and name HG )) ( (resid 90 and name HN )) 1.80 0.00 3.20
assign ((resid 89 and name HD1# )) ( (resid 90 and name HN )) 1.80 0.00 3.20
assign ((resid 89 and name HD2# )) ( (resid 90 and name HN )) 1.80 0.00 3.20
assign ((resid 8 and name HN )) ( (resid 9 and name HD# )) 1.80 0.00 3.20
assign ((resid 15 and name HN )) ( (resid 16 and name HG2# )) 1.80 0.00 3.20
assign ((resid 24 and name HN )) ( (resid 25 and name HB# )) 1.80 0.00 3.20
assign ((resid 41 and name HN )) ( (resid 42 and name HD# )) 1.80 0.00 3.20
assign ((resid 43 and name HN )) ( (resid 44 and name HB )) 1.80 0.00 3.20
assign ((resid 43 and name HN )) ( (resid 44 and name HG1# )) 1.80 0.00 3.20
assign ((resid 48 and name HN )) ( (resid 49 and name HG )) 1.80 0.00 3.20
assign ((resid 48 and name HN )) ( (resid 49 and name HD2# )) 1.80 0.00 3.20
assign ((resid 52 and name HN )) ( (resid 53 and name HG1# )) 1.80 0.00 3.20
assign ((resid 83 and name HN )) ( (resid 84 and name HG2# )) 1.80 0.00 3.20
assign ((resid 84 and name HN )) ( (resid 85 and name HG1# )) 1.80 0.00 3.20
assign ((resid 22 and name HB# )) ( (resid 24 and name HN )) 1.80 0.00 3.20
assign ((resid 26 and name HB )) ( (resid 28 and name HN )) 1.80 0.00 3.20
assign ((resid 45 and name HB# )) ( (resid 47 and name HN )) 1.80 0.00 3.20
assign ((resid 82 and name HB# )) ( (resid 84 and name HN )) 1.80 0.00 3.20
assign ((resid 10 and name HG2# )) ( (resid 12 and name HN )) 1.80 0.00 3.20
assign ((resid 26 and name HG2# )) ( (resid 28 and name HN )) 1.80 0.00 3.20
assign ((resid 44 and name HG2# )) ( (resid 46 and name HN )) 1.80 0.00 3.20
assign ((resid 67 and name HG1# )) ( (resid 69 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HG2# )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 77 and name HD1# )) ( (resid 79 and name HN )) 1.80 0.00 3.20
assign ((resid 84 and name HG1# )) ( (resid 86 and name HN )) 1.80 0.00 3.20
assign ((resid 17 and name HB# )) ( (resid 20 and name HN )) 1.80 0.00 3.20
assign ((resid 45 and name HB# )) ( (resid 48 and name HN )) 1.80 0.00 3.20
assign ((resid 72 and name HB )) ( (resid 75 and name HN )) 1.80 0.00 3.20
assign ((resid 72 and name HG2# )) ( (resid 75 and name HN )) 1.80 0.00 3.20
assign ((resid 20 and name HG2# )) ( (resid 24 and name HN )) 1.80 0.00 3.20
assign ((resid 17 and name HA )) ( (resid 20 and name HB )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 49 and name HB# )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 49 and name HG )) 1.80 0.00 3.20
assign ((resid 46 and name HA )) ( (resid 49 and name HD1# )) 1.80 0.00 3.20
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assign ((resid 68 and name HA )) ( (resid 69 and name HG2# )) 1.80 0.00 3.20
assign ((resid 70 and name HB# )) ( (resid 71 and name HD# )) 1.80 0.00 3.20
assign ((resid 70 and name HG# )) ( (resid 71 and name HD# )) 1.80 0.00 3.20
assign ((resid 71 and name HA )) ( (resid 72 and name HG1# )) 1.80 0.00 3.20
assign ((resid 72 and name HG2# )) ( (resid 73 and name HD# )) 1.80 0.00 3.20
assign ((resid 75 and name HG2# )) ( (resid 76 and name HA )) 1.80 0.00 3.20
assign ((resid 76 and name HA )) ( (resid 77 and name HG2# )) 1.80 0.00 3.20
assign ((resid 77 and name HA )) ( (resid 78 and name HG2# )) 1.80 0.00 3.20
assign ((resid 77 and name HG1# )) ( (resid 78 and name HA )) 1.80 0.00 3.20
assign ((resid 80 and name HG2# )) ( (resid 81 and name HA )) 1.80 0.00 3.20
assign ((resid 81 and name HA )) ( (resid 82 and name HA )) 1.80 0.00 1.70
assign ((resid 81 and name HB# )) ( (resid 82 and name HA )) 1.80 0.00 3.20
assign ((resid 82 and name HA )) ( (resid 83 and name HE )) 1.80 0.00 3.20
assign ((resid 82 and name HB# )) ( (resid 83 and name HB# )) 1.80 0.00 3.20
assign ((resid 83 and name HA )) ( (resid 84 and name HG2# )) 1.80 0.00 3.20
assign ((resid 83 and name HB# )) ( (resid 84 and name HB )) 1.80 0.00 3.20
assign ((resid 83 and name HB# )) ( (resid 84 and name HG2# )) 1.80 0.00 3.20
assign ((resid 83 and name HG# )) ( (resid 84 and name HG2# )) 1.80 0.00 3.20
assign ((resid 84 and name HA )) ( (resid 85 and name HG1# )) 1.80 0.00 3.20
assign ((resid 84 and name HG1# )) ( (resid 85 and name HA )) 1.80 0.00 3.20
assign ((resid 85 and name HA )) ( (resid 86 and name HB )) 1.80 0.00 3.20
assign ((resid 85 and name HG2# )) ( (resid 86 and name HA )) 1.80 0.00 3.20
assign ((resid 87 and name HA )) ( (resid 88 and name HB# )) 1.80 0.00 3.20
assign ((resid 89 and name HB# )) ( (resid 90 and name HA )) 1.80 0.00 3.20
assign ((resid 78 and name HG1# )) ( (resid 79 and name HB# )) 1.80 0.00 3.20
list of removed NOE constraints
====== TOTAL ======: 0
table of distance constraints violations
Residual Violations greater than 0.10
1-> ASN 19 HN - THR 20 HN [ 1.80 3.50] 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.31 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.13 .. 0.56]
7-> SER 43 HN - ILE 44 HN [ 1.80 3.50] 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 - 3 [ 0.09 .. 0.60]
71-> PRO 73 HA - ASN 74 HN [ 1.80 2.90] 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.44 0.59 0.00 0.00 0.00 0.00 - 4 [ 0.43 .. 0.59]
85-> LYS 18 HA - THR 20 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.20 0.00 - 3 [ 0.13 .. 0.41]
91-> ASP 54 HA - SER 56 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.98 .. 0.98]
92-> PRO 73 HA - ILE 75 HN [ 1.80 5.00] 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.43 .. 0.43]
97-> ILE 16 HB - ALA 17 HN [ 1.80 3.50] 0.00 0.00 0.00 0.00 0.68 0.66 0.00 0.58 0.64 0.00 0.57 0.00 0.00 0.00 0.59 0.00 0.00 0.73 0.56 0.58 - 9 [ 0.56 .. 0.73]
113-> LEU 11 HG - THR 12 HN [ 1.80 5.00] 0.14 0.16 0.00 0.00 0.00 0.20 0.00 0.00 0.02 0.00 0.14 0.07 0.07 0.12 0.00 0.11 0.00 0.06 0.00 0.01 - 11 [ 0.01 .. 0.20]
121-> ILE 16 HD1* - ALA 17 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.07 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 - 3 [ 0.06 .. 0.13]
134-> LYS 36 HD* - THR 37 HN [ 1.80 5.00] 0.00 0.00 0.00 0.28 0.00 0.00 0.24 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 - 4 [ 0.15 .. 0.28]
144-> LEU 49 HD1* - PHE 50 HN [ 1.80 5.00] 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.21 0.00 - 3 [ 0.02 .. 0.50]
162-> ILE 77 HD1* - VAL 78 HN [ 1.80 5.00] 0.14 0.13 0.12 0.09 0.00 0.07 0.00 0.03 0.14 0.14 0.08 0.11 0.12 0.14 0.07 0.00 0.00 0.02 0.06 0.10 - 16 [ 0.02 .. 0.14]
174-> LEU 89 HG - GLU 90 HN [ 1.80 5.00] 0.00 0.00 0.06 0.13 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.15 0.23 0.18 0.03 0.00 0.00 0.00 0.00 0.00 - 7 [ 0.03 .. 0.23]
175-> LEU 89 HD1* - GLU 90 HN [ 1.80 5.00] 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.02 .. 0.12]
178-> LEU 15 HN - ILE 16 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 1.00 1.29 0.00 1.58 1.65 0.00 1.38 0.00 0.00 0.00 1.37 0.00 0.00 1.63 0.39 1.29 - 9 [ 0.39 .. 1.65]
179-> SER 24 HN - MET 25 HB* [ 1.80 5.00] 0.75 0.32 0.28 0.31 0.00 0.69 0.74 0.12 0.43 0.00 0.79 0.00 0.00 0.10 0.22 0.00 0.00 0.00 0.43 0.59 - 13 [ 0.10 .. 0.79]
181-> SER 43 HN - ILE 44 HB [ 1.80 5.00] 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 - 2 [ 0.59 .. 0.60]
183-> GLU 48 HN - LEU 49 HG [ 1.80 5.00] 0.00 1.06 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 - 3 [ 1.06 .. 1.18]
184-> GLU 48 HN - LEU 49 HD2* [ 1.80 5.00] 0.32 0.00 0.00 0.00 0.61 0.20 0.00 0.00 0.00 0.02 0.08 0.00 0.00 0.04 0.00 0.00 0.57 0.00 0.03 0.24 - 9 [ 0.02 .. 0.61]
185-> TYR 52 HN - VAL 53 HG1* [ 1.80 5.00] 1.23 1.46 1.23 1.36 1.35 1.41 1.30 1.29 1.48 1.30 0.51 1.38 1.39 1.33 0.60 1.33 1.39 0.00 0.51 1.47 - 19 [ 0.51 .. 1.48]
187-> VAL 84 HN - VAL 85 HG1* [ 1.80 5.00] 1.12 1.22 0.00 1.14 1.17 0.55 1.21 0.42 1.14 1.05 1.16 1.09 1.13 1.21 1.26 1.20 1.14 1.15 1.06 1.16 - 19 [ 0.42 .. 1.26]
189-> ILE 26 HB - THR 28 HN [ 1.80 5.00] 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.24 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.53 0.00 - 6 [ 0.00 .. 0.53]
197-> ILE 77 HD1* - GLU 79 HN [ 1.80 5.00] 1.13 1.13 1.06 1.08 0.60 1.05 0.00 0.91 1.17 1.18 1.04 1.13 1.17 1.24 0.94 0.06 0.80 0.90 1.24 1.14 - 19 [ 0.06 .. 1.24]
198-> VAL 84 HG1* - THR 86 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 1.62 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.62 .. 1.70]
203-> THR 20 HG2* - SER 24 HN [ 1.80 5.00] 0.00 0.00 0.00 0.46 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.06 .. 0.46]
204-> ALA 17 HA - THR 20 HB [ 1.80 5.00] 0.04 0.86 0.58 1.96 1.37 2.07 0.39 1.00 0.43 1.52 0.47 0.00 0.60 0.98 1.15 1.86 1.89 1.46 0.00 1.69 - 18 [ 0.04 .. 2.07]
207-> VAL 46 HA - LEU 49 HD1* [ 1.80 5.00] 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.61 .. 0.61]
208-> VAL 46 HA - LEU 49 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 - 2 [ 0.20 .. 0.23]
214-> LYS 18 HN - LEU 55 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 - 3 [ 0.82 .. 1.32]
219-> ASP 54 HN - GLU 66 HN [ 1.80 5.00] 0.00 0.04 1.25 0.00 0.53 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.22 0.68 0.00 - 7 [ 0.04 .. 1.25]
224-> THR 10 HA - VAL 35 HN [ 1.80 5.00] 0.00 0.00 0.03 0.00 0.01 0.13 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 0.14]
227-> SER 14 HA - SER 32 HN [ 1.80 5.00] 0.77 0.30 0.00 0.58 0.43 0.67 0.36 0.09 0.00 0.52 0.61 0.68 0.00 0.36 0.34 0.31 0.64 0.00 0.00 0.50 - 15 [ 0.09 .. 0.77]
231-> SER 24 HA - HIS 92 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.06 .. 1.06]
242-> LEU 11 HN - ARG 34 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.03 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.17 0.00 0.00 0.00 0.00 - 5 [ 0.00 .. 0.17]
247-> LYS 18 HN - ASP 54 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 - 3 [ 0.47 .. 1.01]
248-> MET 25 HN - LEU 89 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.20 .. 0.23]
253-> TYR 40 HN - ILE 75 HA [ 1.80 5.00] 0.87 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.51 0.00 0.00 0.20 0.03 0.00 0.08 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.03 .. 0.87]
258-> TYR 65 HN - VAL 84 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.16 .. 0.18]
261-> VAL 67 HN - VAL 84 HA [ 1.80 3.50] 0.00 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 0.20]
262-> ASP 8 HA - GLU 38 HA [ 1.80 5.00] 0.00 0.00 0.52 0.38 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.38 .. 0.52]
279-> LEU 13 HD1* - PHE 50 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.43 0.40 0.00 0.00 0.00 0.00 0.05 0.00 0.00 - 4 [ 0.05 .. 0.43]
280-> LEU 13 HD1* - ALA 51 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.23 0.35 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.23 .. 0.55]
282-> LEU 15 HB* - VAL 33 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.45 .. 0.45]
283-> LEU 15 HD1* - TYR 52 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.56 .. 1.56]
284-> LEU 15 HD1* - VAL 53 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.39 .. 0.39]
285-> ILE 16 HG1* - VAL 53 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.93 0.73 0.00 0.93 0.43 0.00 0.77 0.00 0.00 0.00 0.83 0.00 0.00 0.68 0.00 0.78 - 8 [ 0.43 .. 0.93]
286-> LYS 18 HB* - LEU 55 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.68 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.00 .. 1.42]
287-> ASN 19 HB* - SER 56 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.05 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.78 - 4 [ 0.05 .. 1.17]
288-> THR 20 HG2* - ILE 26 HN [ 1.80 5.00] 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.60 .. 0.60]
289-> PRO 21 HG* - SER 58 HN [ 1.80 5.00] 1.03 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 - 4 [ 0.09 .. 1.72]
290-> ASN 23 HB* - HIS 92 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
292-> MET 25 HG* - GLU 90 HN [ 1.80 5.00] 0.12 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.01 0.00 0.04 0.00 0.00 0.07 0.00 0.09 0.00 0.06 - 7 [ 0.01 .. 0.36]
293-> ILE 26 HG1* - GLU 90 HN [ 1.80 5.00] 0.00 0.13 0.00 0.00 0.37 0.11 0.06 0.00 0.00 0.17 0.00 0.44 0.60 0.12 0.00 0.24 0.17 0.21 0.02 0.07 - 13 [ 0.02 .. 0.60]
295-> THR 28 HB - GLN 88 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 - 1 [ 1.02 .. 1.02]
297-> VAL 35 HG1* - GLU 79 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 - 1 [ 0.59 .. 0.59]
300-> THR 37 HB - VAL 78 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 - 1 [ 0.47 .. 0.47]
305-> VAL 53 HG1* - GLU 66 HN [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 1.51 0.00 0.00 0.00 2.12 0.00 - 4 [ 0.07 .. 2.12]
306-> VAL 53 HG1* - LYS 68 HN [ 1.80 5.00] 0.00 0.28 0.00 0.10 0.08 0.19 0.04 0.04 0.00 0.00 0.81 0.07 0.17 0.04 0.72 0.13 0.00 0.00 0.36 0.37 - 14 [ 0.04 .. 0.81]
311-> LEU 11 HN - VAL 35 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 - 1 [ 0.27 .. 0.27]
314-> LEU 13 HN - VAL 33 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.12 .. 0.35]
315-> ALA 17 HN - ILE 26 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 2.74 0.00 1.38 0.00 0.00 - 3 [ 1.38 .. 2.74]
316-> ALA 17 HN - LEU 30 HD1* [ 1.80 5.00] 0.24 0.00 0.00 0.31 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.24 .. 0.51]
317-> ALA 17 HN - LEU 30 HD2* [ 1.80 5.00] 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.43 0.00 0.00 0.00 0.56 0.00 0.00 0.00 - 4 [ 0.36 .. 0.73]
319-> LYS 18 HN - VAL 53 HG2* [ 1.80 5.00] 0.00 0.00 0.08 0.00 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.08 .. 0.21]
320-> LYS 18 HN - LEU 55 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.77 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.38 .. 0.77]
321-> THR 20 HN - LEU 55 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 - 2 [ 0.10 .. 0.39]
322-> ASN 23 HN - HIS 92 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.16 0.05 0.00 0.24 0.00 0.70 0.00 0.00 - 5 [ 0.05 .. 0.70]
323-> MET 25 HN - LEU 89 HD1* [ 1.80 5.00] 0.92 0.13 0.45 0.35 0.00 0.79 0.00 0.50 1.16 0.00 1.10 0.00 0.00 0.00 0.02 0.00 0.34 0.00 0.46 0.69 - 12 [ 0.02 .. 1.16]
324-> MET 25 HN - LEU 89 HD2* [ 1.80 5.00] 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.04 .. 0.47]
329-> LYS 36 HN - VAL 78 HG1* [ 1.80 5.00] 0.26 0.41 0.47 0.54 0.34 0.31 0.19 0.45 0.46 0.60 0.42 0.33 0.41 0.35 0.18 0.00 0.48 0.38 0.26 0.46 - 19 [ 0.18 .. 0.60]
330-> LYS 36 HN - VAL 78 HG2* [ 1.80 5.00] 0.65 0.79 0.81 0.80 0.65 0.79 0.59 0.80 0.84 0.82 0.78 0.70 0.77 0.73 0.63 0.26 0.90 0.74 0.59 0.79 - 20 [ 0.26 .. 0.90]
335-> TYR 40 HN - ILE 75 HD1* [ 1.80 5.00] 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 - 2 [ 0.06 .. 0.83]
339-> TYR 52 HN - VAL 69 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.50 .. 0.50]
341-> GLY 61 HN - LEU 89 HG [ 1.80 5.00] 1.00 0.26 0.00 0.00 0.63 0.97 0.00 1.39 1.58 0.00 1.55 0.00 0.00 0.08 0.23 0.00 0.89 0.00 0.87 0.98 - 12 [ 0.08 .. 1.58]
342-> GLY 61 HN - LEU 89 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.54 0.13 0.50 0.00 0.00 0.12 0.19 0.28 0.00 0.00 0.86 0.00 - 8 [ 0.12 .. 0.86]
345-> TYR 65 HN - VAL 84 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.27 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.07 .. 0.27]
346-> TYR 65 HN - VAL 85 HG2* [ 1.80 5.00] 0.25 0.25 0.00 0.09 0.21 0.00 0.30 0.00 0.13 0.41 0.02 0.22 0.32 0.02 0.17 0.08 0.15 0.15 0.09 0.27 - 17 [ 0.02 .. 0.41]
347-> TYR 40 HD* - ARG 7 HA [ 1.80 5.00] 0.00 0.00 2.75 2.24 6.91 0.05 1.48 0.00 0.00 0.00 1.23 0.00 0.00 1.21 0.00 1.24 0.00 0.00 0.00 0.00 - 8 [ 0.05 .. 6.91]
356-> LEU 15 HD2* - LEU 30 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.89 .. 0.89]
357-> LEU 15 HD1* - TYR 52 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.89 .. 0.89]
358-> ILE 16 HA - LEU 30 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.16 0.00 0.21 0.00 0.00 0.20 0.00 0.32 0.00 0.00 0.19 0.00 0.07 0.00 0.00 0.00 0.00 - 6 [ 0.07 .. 0.32]
362-> ALA 17 HA - LEU 55 HD2* [ 1.80 5.00] 0.00 0.00 0.32 0.00 0.28 0.00 0.00 0.15 0.00 0.00 0.00 1.00 0.70 0.14 0.00 0.00 0.00 0.00 0.00 0.00 - 6 [ 0.14 .. 1.00]
363-> ALA 17 HA - LEU 87 HD1* [ 1.80 5.00] 0.00 0.87 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.06 0.00 0.00 0.44 0.00 0.39 0.03 - 7 [ 0.03 .. 0.87]
364-> LYS 18 HB* - ASP 54 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.68 .. 0.68]
365-> ASN 19 HB* - SER 56 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.33 0.00 0.00 1.12 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.82 - 5 [ 0.33 .. 1.12]
366-> THR 20 HA - SER 24 HG [ 1.80 5.00] 0.00 0.53 0.00 0.00 3.26 2.61 0.95 0.61 0.35 1.95 0.00 0.38 1.55 0.01 0.00 2.98 2.36 1.60 0.00 1.69 - 14 [ 0.01 .. 3.26]
368-> THR 20 HA - LEU 55 HD1* [ 1.80 5.00] 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 - 2 [ 0.46 .. 1.26]
369-> THR 20 HA - LEU 55 HD2* [ 1.80 5.00] 0.00 0.36 0.42 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.85 0.00 0.00 0.00 0.43 0.00 0.00 0.00 1.73 0.00 - 6 [ 0.32 .. 1.73]
370-> THR 20 HG2* - MET 25 HA [ 1.80 5.00] 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.87 .. 0.87]
371-> PRO 21 HG* - SER 56 HA [ 1.80 5.00] 2.19 0.87 0.00 0.36 1.23 1.80 0.00 0.25 0.00 0.51 0.35 0.00 0.19 0.00 0.00 0.54 0.00 0.00 0.00 0.00 - 10 [ 0.19 .. 2.19]
372-> MET 25 HE* - MET 27 HA [ 1.80 5.00] 0.54 1.36 0.00 0.00 0.00 1.19 0.83 0.00 1.12 0.00 0.63 1.13 1.22 0.00 0.00 0.00 0.00 1.42 1.00 0.57 - 11 [ 0.54 .. 1.42]
373-> MET 25 HE* - HIS 92 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 - 2 [ 0.36 .. 0.64]
374-> ILE 26 HA - LEU 89 HG [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.48 .. 0.48]
375-> ILE 26 HA - LEU 89 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.18 0.00 0.00 - 3 [ 0.03 .. 0.73]
378-> THR 28 HB - LEU 87 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 - 1 [ 1.54 .. 1.54]
380-> VAL 33 HA - VAL 67 HG1* [ 1.80 5.00] 0.00 0.34 0.07 0.00 0.00 0.00 0.00 0.04 0.74 0.00 0.11 0.29 0.95 0.00 0.25 0.00 0.06 0.00 0.00 0.20 - 10 [ 0.04 .. 0.95]
382-> VAL 33 HG1* - ALA 51 HA [ 1.80 5.00] 0.00 0.28 0.00 0.00 0.12 0.00 0.21 0.00 1.88 0.00 0.00 0.28 0.64 0.00 0.00 0.12 0.17 0.13 0.18 0.00 - 10 [ 0.12 .. 1.88]
387-> GLY 39 HA* - ILE 75 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 - 1 [ 0.17 .. 0.17]
388-> TYR 40 HA - ILE 75 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 - 1 [ 0.66 .. 0.66]
389-> ILE 44 HG2* - VAL 46 HA [ 1.80 5.00] 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.75 .. 0.75]
394-> SER 58 HA - LEU 89 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.99 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.58 0.00 0.44 - 5 [ 0.25 .. 1.58]
396-> PRO 60 HA - LEU 89 HD2* [ 1.80 5.00] 0.00 0.58 0.00 0.00 0.00 0.00 0.04 0.36 0.45 0.00 0.37 0.31 0.25 0.72 0.83 0.00 0.00 0.00 1.30 0.00 - 10 [ 0.04 .. 1.30]
400-> ASP 64 HA - VAL 84 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.79 .. 0.88]
404-> PRO 71 HA - ILE 77 HG2* [ 1.80 5.00] 0.23 0.52 1.10 0.06 2.02 1.07 1.09 0.87 0.00 0.20 0.00 0.01 0.96 0.14 0.52 0.59 1.35 1.23 0.02 0.63 - 18 [ 0.01 .. 2.02]
407-> VAL 84 HG1* - THR 86 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 1.83 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 1.83 .. 1.85]
408-> ASP 8 HB* - LYS 36 HD* [ 1.80 5.00] 1.01 0.99 1.53 1.40 0.00 0.95 1.98 1.03 0.00 0.73 0.00 0.98 0.77 0.34 0.00 0.60 0.51 0.00 1.41 0.95 - 15 [ 0.34 .. 1.98]
409-> PRO 9 HD* - ASN 41 HD2* [ 1.80 5.00] 0.74 1.54 5.35 3.83 3.88 1.52 2.22 1.78 2.73 1.53 2.01 1.87 1.91 3.77 0.00 3.70 0.00 2.08 0.00 1.17 - 17 [ 0.74 .. 5.35]
410-> PRO 9 HD* - ILE 75 HD1* [ 1.80 5.00] 0.00 0.00 1.70 1.24 1.30 0.00 0.11 0.00 0.40 0.00 0.00 0.00 0.07 0.00 0.00 0.55 0.00 0.00 0.00 0.00 - 7 [ 0.07 .. 1.70]
414-> THR 10 HG2* - ARG 34 HE [ 1.80 5.00] 0.11 0.26 0.00 0.00 0.00 0.04 1.73 0.12 0.00 0.23 0.00 0.05 0.01 0.31 0.00 0.49 0.32 0.35 0.00 0.00 - 12 [ 0.01 .. 1.73]
418-> LEU 11 HD1* - THR 37 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.15 .. 0.33]
422-> LEU 13 HB* - VAL 33 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 - 2 [ 0.00 .. 0.22]
423-> LEU 13 HB* - VAL 35 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 - 1 [ 0.43 .. 0.43]
424-> LEU 13 HG - VAL 35 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 - 1 [ 0.26 .. 0.26]
427-> LEU 13 HD1* - LEU 49 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 - 1 [ 0.24 .. 0.24]
430-> SER 14 HB* - PHE 50 HD* [ 1.80 5.00] 1.33 0.00 0.00 0.66 0.33 0.00 0.38 0.71 0.00 0.62 0.00 0.00 0.00 1.14 0.00 1.16 0.17 0.00 0.00 0.00 - 9 [ 0.17 .. 1.33]
431-> SER 14 HB* - PHE 50 HE* [ 1.80 5.00] 3.16 0.00 0.00 2.51 1.74 0.00 2.16 2.31 0.00 2.49 0.00 0.00 0.00 2.96 0.00 2.93 1.87 0.00 0.00 0.00 - 9 [ 1.74 .. 3.16]
438-> LEU 15 HG - LEU 30 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.43 .. 1.43]
440-> LEU 15 HD2* - LEU 30 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.73 .. 0.73]
441-> LEU 15 HD2* - PRO 31 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.63 .. 0.63]
448-> ILE 16 HG1* - TYR 52 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.55 0.00 0.77 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.65 0.86 - 6 [ 0.55 .. 0.86]
449-> ILE 16 HG2* - PHE 50 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.19 .. 0.19]
450-> ILE 16 HG2* - PHE 50 HD* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.17 0.00 0.16 0.00 0.00 0.00 0.19 0.00 0.00 0.32 0.00 0.19 - 6 [ 0.16 .. 0.32]
451-> ILE 16 HD1* - LYS 18 HE* [ 1.80 5.00] 0.06 1.41 0.38 0.00 0.26 2.32 0.46 1.41 1.95 0.00 3.06 0.00 0.21 0.00 3.38 0.00 0.90 0.00 2.87 1.68 - 14 [ 0.06 .. 3.38]
454-> ILE 16 HD1* - TYR 52 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.07 0.00 0.31 0.00 0.00 0.00 0.40 0.00 0.00 0.00 1.02 0.42 - 6 [ 0.07 .. 1.02]
459-> ALA 17 HB* - VAL 53 HG2* [ 1.80 5.00] 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.05 0.00 - 4 [ 0.05 .. 0.28]
461-> ALA 17 HB* - LEU 55 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.49 .. 0.50]
462-> ALA 17 HB* - LEU 89 HD2* [ 1.80 5.00] 0.59 0.00 0.00 0.00 1.12 0.24 0.24 0.85 0.24 1.49 0.00 0.14 0.28 0.00 0.00 1.83 0.50 0.93 0.00 0.34 - 13 [ 0.14 .. 1.83]
465-> THR 20 HG2* - SER 24 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.18 .. 1.18]
469-> THR 20 HG2* - LEU 55 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.05 - 2 [ 0.05 .. 0.10]
470-> THR 20 HG2* - LEU 89 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.49 0.08 0.95 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 - 6 [ 0.08 .. 0.95]
471-> THR 20 HG2* - LEU 89 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.00 0.00 - 1 [ 0.15 .. 0.15]
472-> PRO 21 HD* - LEU 55 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 - 1 [ 0.19 .. 0.19]
473-> PRO 21 HD* - LEU 89 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.18 0.00 0.00 0.00 1.28 0.00 - 4 [ 0.18 .. 1.28]
474-> SER 24 HB* - LEU 89 HD1* [ 1.80 5.00] 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.77 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.58 .. 1.06]
476-> SER 24 HG - LEU 89 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.74 .. 1.18]
477-> ILE 26 HB - LEU 30 HD1* [ 1.80 5.00] 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.59 .. 0.59]
479-> ILE 26 HG1* - LEU 89 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.24 .. 0.24]
486-> ILE 26 HG2* - LEU 89 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.66 0.00 0.00 - 4 [ 0.08 .. 0.81]
487-> ILE 26 HD1* - LEU 30 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 - 1 [ 0.11 .. 0.11]
491-> THR 28 HB - LEU 87 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 - 1 [ 0.13 .. 0.13]
492-> THR 28 HG2* - LEU 87 HD2* [ 1.80 5.00] 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.22 .. 0.22]
494-> LEU 30 HD1* - VAL 53 HG1* [ 1.80 5.00] 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 - 2 [ 0.25 .. 0.38]
497-> PRO 31 HG* - LEU 87 HD2* [ 1.80 5.00] 0.00 2.21 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.05 .. 2.21]
498-> PRO 31 HD* - LEU 87 HD2* [ 1.80 5.00] 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.77 .. 0.77]
500-> VAL 33 HB - ALA 51 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
503-> VAL 35 HB - ILE 77 HD1* [ 1.80 5.00] 0.46 0.36 0.48 0.29 0.00 0.49 0.00 0.19 0.77 0.21 0.47 0.57 0.51 0.44 0.63 0.00 0.00 0.12 0.09 0.35 - 16 [ 0.09 .. 0.77]
505-> VAL 35 HG1* - GLU 79 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.12 0.00 0.03 0.04 0.00 0.00 0.00 0.02 0.00 0.00 1.16 0.00 - 6 [ 0.02 .. 1.16]
509-> LYS 36 HG* - VAL 78 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.24 0.00 0.00 0.02 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 - 4 [ 0.02 .. 0.52]
510-> LYS 36 HE* - VAL 78 HG1* [ 1.80 5.00] 0.00 0.00 0.00 1.05 0.00 0.00 0.81 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 - 4 [ 0.81 .. 1.38]
511-> LYS 36 HE* - VAL 78 HG2* [ 1.80 5.00] 0.00 0.00 0.29 2.15 0.00 0.00 1.98 0.00 0.35 2.28 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 2.20 0.00 - 7 [ 0.29 .. 2.28]
520-> GLU 38 HG* - VAL 78 HG1* [ 1.80 5.00] 0.73 0.68 0.66 0.54 1.00 1.00 0.52 0.75 0.63 0.70 0.59 0.00 1.15 0.75 0.39 0.49 0.51 0.79 0.29 0.00 - 18 [ 0.29 .. 1.15]
522-> ASN 41 HB* - ILE 44 HD1* [ 1.80 5.00] 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 1.24 .. 1.24]
523-> ASN 41 HB* - ILE 75 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.96 .. 0.97]
525-> ASN 41 HD2* - ILE 44 HD1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.60 0.00 0.00 0.59 0.00 0.00 0.00 0.63 0.16 0.18 0.00 0.89 - 7 [ 0.16 .. 0.89]
526-> ILE 44 HG1* - ILE 72 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
527-> ILE 44 HG1* - ILE 75 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.55 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.07 .. 1.04]
528-> ILE 44 HG2* - VAL 46 HG1* [ 1.80 5.00] 0.00 0.00 0.48 0.00 0.00 0.00 0.21 0.00 0.45 0.00 0.00 0.24 0.30 0.00 0.00 0.43 0.00 0.00 0.00 0.00 - 6 [ 0.21 .. 0.48]
529-> ILE 44 HG2* - ILE 75 HG1* [ 1.80 5.00] 0.26 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.48 0.00 - 5 [ 0.23 .. 0.48]
530-> ILE 44 HD1* - ILE 75 HG1* [ 1.80 5.00] 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.75 0.00 0.00 0.00 0.00 - 3 [ 0.45 .. 0.75]
531-> VAL 46 HG1* - LEU 49 HG [ 1.80 5.00] 0.00 0.64 0.38 0.00 0.00 0.31 0.00 0.00 0.09 0.00 0.00 0.32 0.19 0.00 0.00 0.23 0.00 0.00 0.00 0.35 - 8 [ 0.09 .. 0.64]
532-> VAL 46 HG1* - LEU 49 HD1* [ 1.80 5.00] 0.00 1.28 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.19 .. 1.28]
533-> VAL 46 HG2* - LEU 49 HD1* [ 1.80 5.00] 0.00 2.24 0.00 0.00 1.69 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.41 - 5 [ 0.41 .. 2.24]
535-> LEU 49 HD2* - ILE 72 HD1* [ 1.80 5.00] 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 - 3 [ 0.02 .. 0.12]
539-> TYR 52 HB* - LYS 68 HD* [ 1.80 5.00] 0.96 0.00 1.15 1.16 0.66 0.00 1.17 1.21 0.00 0.84 0.04 1.18 1.05 1.05 0.26 0.87 0.67 0.46 0.00 0.00 - 15 [ 0.04 .. 1.21]
540-> TYR 52 HE* - GLU 70 HG* [ 1.80 5.00] 0.15 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.05 .. 0.15]
542-> VAL 53 HB - TYR 65 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.31 .. 0.31]
544-> VAL 53 HG2* - LEU 55 HD2* [ 1.80 5.00] 0.13 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.13 .. 0.25]
548-> LEU 55 HD1* - LEU 89 HG [ 1.80 5.00] 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.41 0.00 0.00 - 4 [ 0.15 .. 0.94]
552-> SER 58 HB* - LEU 89 HD1* [ 1.80 5.00] 0.24 0.00 0.00 0.00 2.01 1.35 0.00 1.02 0.35 0.23 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 1.74 - 9 [ 0.08 .. 2.01]
553-> PRO 60 HB* - LEU 89 HB* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.13 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 - 4 [ 0.02 .. 0.61]
558-> TYR 65 HB* - VAL 85 HG2* [ 1.80 5.00] 0.03 0.28 0.00 0.08 0.09 0.00 0.15 0.00 0.00 0.17 0.00 0.17 0.50 0.00 0.04 0.00 0.00 0.00 0.00 0.09 - 10 [ 0.03 .. 0.50]
559-> TYR 65 HD* - VAL 85 HG2* [ 1.80 5.00] 1.30 1.46 0.00 1.39 1.34 0.00 1.31 0.29 1.11 1.26 0.79 1.40 1.72 1.10 1.19 1.09 1.23 0.82 1.14 1.47 - 18 [ 0.29 .. 1.72]
564-> GLU 66 HB* - VAL 84 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.51 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.36 .. 0.52]
565-> GLU 66 HG* - VAL 84 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.11 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.10 .. 0.19]
566-> VAL 67 HB - ILE 80 HG2* [ 1.80 5.00] 0.15 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.15 .. 1.20]
569-> VAL 69 HG2* - ILE 77 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.63 .. 0.63]
570-> ILE 72 HB - ILE 75 HB [ 1.80 3.50] 0.00 0.00 0.36 0.00 0.00 0.01 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 - 4 [ 0.01 .. 2.66]
577-> PRO 82 HB* - VAL 85 HG1* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.16 .. 0.16]
579-> PRO 82 HD* - VAL 85 HG1* [ 1.80 5.00] 0.86 0.26 0.00 0.95 0.40 1.21 0.56 1.01 0.16 0.61 0.14 0.64 0.43 0.58 0.11 0.39 0.37 0.39 0.21 0.32 - 19 [ 0.11 .. 1.21]
580-> VAL 85 HB - LEU 87 HD2* [ 1.80 5.00] 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.20 .. 0.20]
581-> VAL 85 HG2* - LEU 87 HG [ 1.80 5.00] 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 1 [ 3.10 .. 3.10]
628-> THR 28 HN - THR 28 HB [ 1.80 3.50] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.00 - 1 [ 0.17 .. 0.17]
650-> ILE 44 HN - ILE 44 HB [ 1.80 3.50] 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.00 - 3 [ 0.07 .. 0.38]
745-> LEU 15 HA - ILE 16 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.50 0.47 0.00 0.49 0.49 0.00 0.47 0.00 0.00 0.00 0.46 0.00 0.00 0.45 0.00 0.46 - 8 [ 0.45 .. 0.50]
750-> ALA 22 HB* - ASN 23 HD2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.10 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.10 .. 0.29]
751-> MET 25 HG* - ILE 26 HA [ 1.80 5.00] 1.05 0.00 0.00 0.00 0.00 0.92 0.90 0.00 0.00 0.00 1.02 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 1.10 - 6 [ 0.90 .. 1.25]
757-> LEU 30 HD2* - PRO 31 HD3 [ 1.80 5.00] 0.57 0.00 0.00 0.62 0.00 0.64 0.63 0.00 0.40 0.59 0.63 0.00 0.00 0.62 0.00 0.58 0.00 0.00 0.00 0.00 - 9 [ 0.40 .. 0.64]
758-> VAL 33 HG2* - ARG 34 HA [ 1.80 5.00] 0.55 0.62 0.56 0.56 0.61 0.55 0.62 0.57 0.00 0.56 0.59 0.63 0.00 0.61 0.57 0.61 0.57 0.58 0.63 0.60 - 18 [ 0.55 .. 0.63]
759-> VAL 33 HG2* - ARG 34 HB* [ 1.80 5.00] 0.73 0.66 0.76 0.75 0.56 0.70 0.68 0.79 0.00 0.73 0.69 0.75 0.00 0.75 0.73 0.69 0.70 0.71 0.45 0.50 - 18 [ 0.45 .. 0.79]
760-> ARG 34 HA - VAL 35 HG1* [ 1.80 5.00] 0.51 0.46 0.51 0.50 0.40 0.49 0.36 0.44 0.45 0.48 0.47 0.41 0.48 0.38 0.45 0.40 0.44 0.39 0.00 0.38 - 19 [ 0.36 .. 0.51]
761-> ARG 34 HA - VAL 35 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 - 1 [ 0.44 .. 0.44]
763-> TYR 52 HA - VAL 53 HG1* [ 1.80 5.00] 0.46 0.51 0.49 0.49 0.45 0.49 0.46 0.47 0.47 0.46 0.00 0.46 0.47 0.50 0.00 0.47 0.47 0.00 0.00 0.44 - 16 [ 0.44 .. 0.51]
764-> TYR 52 HA - VAL 53 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.48 0.00 - 3 [ 0.40 .. 0.48]
769-> LYS 68 HA - VAL 69 HG2* [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.41 .. 0.41]
775-> LYS 76 HA - ILE 77 HG2* [ 1.80 5.00] 0.49 0.50 0.49 0.52 0.50 0.49 0.51 0.50 0.51 0.50 0.49 0.47 0.49 0.47 0.47 0.46 0.53 0.49 0.50 0.50 - 20 [ 0.46 .. 0.53]
777-> ILE 77 HG1* - VAL 78 HA [ 1.80 5.00] 0.85 0.84 0.87 0.84 0.83 0.83 1.07 0.85 0.84 0.85 0.85 0.86 0.86 0.84 0.83 1.09 0.80 0.84 0.83 0.84 - 20 [ 0.80 .. 1.09]
778-> ILE 80 HG2* - SER 81 HA [ 1.80 5.00] 0.56 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.54 .. 0.56]
781-> PRO 82 HA - ARG 83 HE [ 1.80 5.00] 1.23 4.00 3.94 3.91 3.96 3.92 3.88 4.02 3.99 3.92 3.93 4.00 3.97 4.02 3.99 3.94 3.94 3.92 3.98 4.00 - 20 [ 1.23 .. 4.02]
784-> ARG 83 HB* - VAL 84 HB [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.33 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.26 .. 0.35]
787-> VAL 84 HA - VAL 85 HG1* [ 1.80 5.00] 0.46 0.42 0.00 0.50 0.44 0.00 0.46 0.00 0.45 0.44 0.44 0.44 0.44 0.49 0.43 0.44 0.44 0.48 0.46 0.45 - 17 [ 0.42 .. 0.50]
788-> VAL 84 HG1* - VAL 85 HA [ 1.80 5.00] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.45 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 3 [ 0.45 .. 0.48]
790-> VAL 85 HG2* - THR 86 HA [ 1.80 5.00] 0.60 0.66 0.00 0.64 0.64 0.00 0.61 0.00 0.61 0.61 0.62 0.63 0.60 0.63 0.62 0.63 0.65 0.60 0.62 0.65 - 17 [ 0.60 .. 0.66]
798-> PRO 31 O - LEU 15 HN [ 1.60 2.30] 1.95 1.63 0.00 1.61 1.59 1.72 1.68 0.00 0.00 1.75 1.50 1.58 0.00 1.96 1.44 1.84 1.62 0.00 0.00 1.53 - 14 [ 1.44 .. 1.96]
799-> PRO 31 O - LEU 15 N [ 2.60 3.30] 1.12 1.10 0.00 1.04 0.85 1.10 1.05 0.00 0.00 1.13 0.97 1.04 0.00 1.08 0.85 1.07 1.06 0.00 0.00 0.92 - 14 [ 0.85 .. 1.13]
802-> VAL 53 O - LYS 18 HN [ 1.60 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.28 1.07 0.00 0.00 0.00 1.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.97 - 5 [ 0.28 .. 1.67]
803-> VAL 53 O - LYS 18 N [ 2.60 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 1.32 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.51 - 4 [ 0.03 .. 1.32]
814-> SER 14 O - ALA 51 HN [ 1.60 2.30] 0.00 0.00 1.47 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 1.02 .. 1.47]
815-> SER 14 O - ALA 51 N [ 2.60 3.30] 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 - 2 [ 0.65 .. 1.13]
818-> ASN 45 O - LEU 49 HN [ 1.60 2.30] 0.00 0.14 0.13 1.45 0.00 0.04 0.41 0.29 0.57 0.57 0.00 0.33 0.65 0.00 1.58 0.15 0.49 0.48 0.00 0.00 - 14 [ 0.04 .. 1.58]
819-> ASN 45 O - LEU 49 N [ 2.60 3.30] 0.00 0.04 0.00 1.07 0.00 0.00 0.13 0.10 0.19 0.35 0.00 0.09 0.32 0.00 1.16 0.00 0.31 0.09 0.00 0.00 - 11 [ 0.04 .. 1.16]
830-> GLU 38 O - LYS 76 HN [ 1.60 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 - 1 [ 0.35 .. 0.35]
832-> LYS 36 O - GLU 79 HN [ 1.60 2.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 - 1 [ 0.37 .. 0.37]
833-> LYS 36 O - GLU 79 N [ 2.60 3.30] 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 - 1 [ 0.30 .. 0.30]
-------------------------------------------
Number of Violations greater than 0.10 56 59 43 50 59 59 55 66 64 62 58 55 62 44 55 53 51 48 61 57
-------------------------------------------
---- Summary Of Residual Distance Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
0.1 - 0.2 ang: 8 6 2 5 4 8 8 10 10 8 4 6 9 10 8 6 8 8 4 2 6.70
0.2 - 0.5 ang: 14 19 17 12 19 15 18 16 21 16 18 18 23 11 19 17 11 17 21 19 17.05
> 0.5 ang: 34 34 24 33 36 36 29 40 33 38 36 31 30 23 28 30 32 23 36 36 32.10
Total : 62 63 51 59 72 70 65 77 73 70 67 66 72 55 64 62 53 55 72 64 64.60
Minimum Violation : 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000
Maximum Violation : 3.156 4.003 5.351 3.914 6.909 3.924 3.882 4.022 3.990 3.924 3.934 4.001 3.968 4.018 3.991 3.940 3.941 3.918 3.981 4.004 6.909
Max Intra Viol : 0.000 0.000 0.377 0.000 0.000 0.000 0.000 0.000 0.000 0.072 0.000 0.000 0.000 0.000 0.000 0.000 0.170 0.009 0.000 0.000 0.377
Max Seque Viol : 1.235 4.003 3.938 3.914 3.958 3.924 3.882 4.022 3.990 3.924 3.934 4.001 3.968 4.018 3.991 3.940 3.941 3.918 3.981 4.004 4.022
Max Medium Viol : 1.236 3.097 1.065 1.963 3.256 2.614 0.953 1.851 1.948 1.947 3.058 1.132 1.845 1.237 3.380 2.979 2.355 1.600 2.869 1.689 3.380
Max Long Viol : 3.156 2.212 5.351 3.828 6.909 1.803 2.221 2.312 2.732 2.491 2.005 1.870 1.908 3.767 1.506 3.704 1.874 2.079 2.203 1.742 6.909
Average Violation : 0.049 0.056 0.046 0.056 0.070 0.059 0.051 0.061 0.056 0.060 0.055 0.049 0.052 0.043 0.050 0.057 0.049 0.041 0.058 0.055 0.05360
Avge Intra Viol : 0.000 0.000 0.002 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.002 0.000 0.000 0.000 0.00023
Avge Seque Viol : 0.018 0.066 0.020 0.031 0.035 0.060 0.019 0.044 0.032 0.043 0.029 0.022 0.045 0.012 0.052 0.030 0.038 0.029 0.027 0.040 0.03463
Avge Mediu Viol : 0.153 0.169 0.144 0.165 0.202 0.200 0.184 0.173 0.179 0.165 0.205 0.152 0.168 0.162 0.182 0.164 0.166 0.159 0.169 0.200 0.17313
Avge Long Viol : 0.065 0.049 0.059 0.072 0.092 0.054 0.064 0.074 0.069 0.074 0.061 0.066 0.053 0.054 0.043 0.075 0.052 0.041 0.078 0.057 0.06261
RMS Violation : 0.235 0.283 0.299 0.304 0.395 0.286 0.268 0.277 0.271 0.290 0.268 0.249 0.253 0.271 0.271 0.316 0.259 0.234 0.281 0.261 0.28050
RMS Intra : 0.000 0.000 0.030 0.000 0.000 0.000 0.000 0.000 0.000 0.006 0.000 0.000 0.000 0.000 0.000 0.000 0.016 0.001 0.000 0.000 0.00774
RMS Sequential : 0.131 0.326 0.113 0.204 0.266 0.317 0.107 0.236 0.185 0.252 0.233 0.129 0.238 0.112 0.332 0.242 0.237 0.188 0.222 0.225 0.22523
RMS Medium range : 0.353 0.556 0.515 0.535 0.573 0.562 0.550 0.557 0.571 0.531 0.565 0.535 0.549 0.543 0.552 0.542 0.549 0.542 0.525 0.580 0.54115
RMS Long range : 0.294 0.227 0.367 0.348 0.485 0.238 0.300 0.272 0.275 0.302 0.248 0.262 0.216 0.307 0.187 0.356 0.231 0.202 0.299 0.230 0.29032
Final --global-- Summary for 20 models, 841 NOEs/model, 16820 NOEs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ of viol : 901.512
Summ sq. viol : 1323.368
Maximum viol : 6.909
Average viol : 0.05360
RMSD viol : 0.28050
Std. Dev. viol : 0.27533
RMS Intra : 0.00774
RMS Seque : 0.22523
RMS Medi : 0.54115
RMS Long : 0.29032
table of dihedral angle constraints violations
9-> [LEU A 15] PHI -132.1 -72.1 0.0 0.0 6.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 6.6]
13-> [MET A 25] PHI -163.0 -103.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 18.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 18.1]
15-> [ILE A 26] PHI -131.5 -71.5 0.0 0.0 0.0 0.0 1.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.6 0.0 0.0 0.0 4.5 0.0 0.0 0.0 - 3 [ 0.0 .. 4.6]
20-> [ARG A 34] PSI 93.4 173.4 0.0 0.0 3.4 3.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 3.4]
21-> [VAL A 35] PHI -151.2 -91.2 0.0 0.0 10.8 11.8 0.0 0.4 0.0 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 4 [ 0.0 .. 11.8]
23-> [LYS A 36] PHI -134.8 -74.8 0.0 0.3 0.7 0.0 0.0 6.9 0.0 0.0 3.8 0.0 1.3 0.0 0.0 5.9 0.1 0.5 3.7 0.0 0.0 0.0 - 9 [ 0.0 .. 6.9]
29-> [ALA A 51] PHI -155.9 -95.9 0.0 0.0 10.1 0.0 0.0 0.0 0.0 6.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 10.1]
31-> [TYR A 52] PHI -159.2 -99.2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.1 0.0 - 1 [ 0.0 .. 7.1]
33-> [VAL A 53] PHI -172.5 -112.5 4.5 14.1 0.0 20.8 3.9 14.9 13.5 12.1 0.0 13.3 9.0 25.3 18.2 16.9 12.0 14.4 9.5 0.0 0.0 24.3 - 16 [ 0.0 .. 25.3]
34-> [VAL A 53] PSI 118.3 -161.7 0.0 10.3 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.4 0.0 0.0 0.0 - 3 [ 0.0 .. 10.3]
39-> [ASP A 64] PHI -141.6 -81.6 0.0 0.0 0.0 1.8 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.8]
43-> [VAL A 69] PHI -147.1 -87.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 16.9 0.0 0.0 0.0 0.0 0.0 4.9 0.0 0.0 2.7 14.1 0.0 - 4 [ 0.0 .. 16.9]
46-> [ILE A 72] PSI 94.0 174.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3.8 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 3.8]
47-> [ILE A 75] PHI -143.8 -83.8 0.0 0.0 4.3 18.1 0.0 23.6 0.0 20.8 0.0 0.0 19.4 0.0 0.0 0.0 4.8 0.0 0.0 3.4 0.0 0.0 - 7 [ 0.0 .. 23.6]
49-> [LYS A 76] PHI -140.7 -80.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 17.7 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 17.7]
52-> [VAL A 84] PSI 117.2 -162.8 0.0 0.0 0.0 4.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.4 0.0 0.0 0.0 0.0 0.0 0.0 - 2 [ 0.0 .. 4.7]
59-> [GLN A 88] PHI -145.4 -85.5 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 1.5 0.0 - 3 [ 0.0 .. 1.5]
64-> [GLU A 90] PSI 98.6 178.6 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.0]
65-> [HIS A 91] PHI -127.0 -67.0 2.2 0.0 0.0 0.0 12.1 12.0 0.0 1.9 0.0 0.0 0.0 1.8 0.0 2.1 0.0 0.0 6.8 0.0 0.0 0.0 - 7 [ 0.0 .. 12.1]
66-> [HIS A 91] PSI 86.1 166.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 - 1 [ 0.0 .. 1.7]
---- ACOSummary Of Residual ACO Constraint Violations ----
Mod 1 Mod 2 Mod 3 Mod 4 Mod 5 Mod 6 Mod 7 Mod 8 Mod 9 Mod 10 Mod 11 Mod 12 Mod 13 Mod 14 Mod 15 Mod 16 Mod 17 Mod 18 Mod 19 Mod 20 Averages
~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~ ~~~~~~~~~~~
1 - 10. degrees : 2 0 3 3 2 1 0 2 2 1 2 1 2 2 3 1 5 2 2 0 1.80
> 10. degrees : 0 2 2 3 1 3 1 2 1 1 1 1 2 1 2 1 0 0 1 1 1.30
Total : 2 4 6 6 3 5 1 5 3 2 3 2 5 4 6 3 5 2 3 1 3.55
Minimum Violation : 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.00
Maximum Violation : 4.5 14.1 10.8 20.8 12.1 23.6 13.5 20.8 16.9 13.3 19.4 25.3 18.2 16.9 17.7 14.4 9.5 3.4 14.1 24.3 25.34
Max PHI Viol : 4.5 14.1 10.8 20.8 12.1 23.6 13.5 20.8 16.9 13.3 19.4 25.3 18.2 16.9 17.7 14.4 9.5 3.4 14.1 24.3 25.34
Max PSI Viol : 0.0 10.3 3.4 4.7 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 1.7 0.4 3.8 1.0 3.4 0.0 0.0 0.0 10.27
Average Violation : 0.1 0.4 0.5 0.9 0.3 0.9 0.2 0.6 0.3 0.2 0.5 0.4 0.6 0.4 0.7 0.2 0.4 0.1 0.3 0.4 0.426
Avge PHI Viol : 0.452 0.671 0.992 1.262 0.736 1.324 0.639 1.130 0.792 0.662 0.950 0.907 1.114 0.868 1.094 0.672 0.862 0.431 0.829 0.859 0.894
Avge PSI Viol : 0.000 0.558 0.322 0.497 0.000 0.000 0.000 0.000 0.251 0.000 0.000 0.000 0.225 0.107 0.338 0.177 0.323 0.000 0.000 0.000 0.228
RMS Violation : 0.621 2.149 2.104 3.775 1.583 3.840 1.658 3.084 2.149 1.638 2.640 3.127 3.212 2.216 2.802 1.779 1.662 0.536 1.950 2.997 2.443
RMS PHI Viol : 0.878 2.457 2.915 5.241 2.238 5.431 2.344 4.362 3.018 2.316 3.734 4.422 4.533 3.134 3.908 2.510 2.273 0.758 2.758 4.238 3.413
RMS PSI Viol : 0.000 1.788 0.594 1.017 0.000 0.000 0.000 0.000 0.362 0.000 0.000 0.000 0.290 0.066 0.655 0.179 0.599 0.000 0.000 0.000 0.530
Final --global-- Summary for 20 models, 66 ACOs/model, 1320 ACOs total
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Summ. Viol. : 562.16
Summ. Sq. Viol. : 7874.96
Max. Viol. : 25.336
Avg. Viol. : 0.42588
RMS Viol. : 2.44251
Std. Dev. Viol. : 2.40510
JPEG image for inter-residue distance constraints per residue plot
S(phi)|S(psi) V/S Residue number
Text output from PDBStat of phi psi order
# CHAIN .GT. SUM.GT.
# RES ID DIH S(phi) S(psi) S(chi1) S(chi2) S(chi3) S(chi4) S(chi5) 0.90 1.6
# -----------------------------------------------------------------------------------
SER A 1 0.141 0.410
SER A 2 0.835 0.466 0.599
GLN A 3 0.745 0.336 0.595 0.151 0.734
THR A 4 0.903 0.202 0.333
LEU A 5 0.950 0.175 0.729 0.549
ASP A 6 0.951 0.262 0.666 0.973
ARG A 7 0.757 0.669 0.577 0.927 0.693 0.868 1.000
ASP A 8 0.625 0.951 0.628 0.922
PRO A 9 0.982 0.955 0.900 0.837 9 9
THR A 10 0.983 0.994 1.000 10 10
LEU A 11 0.979 0.974 0.584 0.592 11 11
THR A 12 0.979 0.995 1.000 12 12
LEU A 13 0.989 0.991 0.917 0.713 13 13
SER A 14 0.989 0.982 0.224 14 14
LEU A 15 0.964 0.992 0.928 0.931 15 15
ILE A 16 0.990 0.959 0.420 1.000 16 16
ALA A 17 0.978 0.911 17 17
LYS A 18 0.892 0.508 0.878 0.555 0.870 0.939
ASN A 19 0.516 0.867 0.640 0.862
THR A 20 0.840 0.994 0.926 20
PRO A 21 0.985 0.992 0.902 0.834 21 21
ALA A 22 0.984 0.532
ASN A 23 0.530 0.914 0.912 0.966
SER A 24 0.936 0.924 0.406 24 24
MET A 25 0.944 0.982 0.525 0.723 0.349 25 25
ILE A 26 0.974 0.997 0.999 0.773 26 26
MET A 27 0.986 0.961 0.795 0.695 0.301 27 27
THR A 28 0.980 0.981 0.922 28 28
LYS A 29 0.994 0.991 0.871 1.000 1.000 1.000 29 29
LEU A 30 0.990 0.998 0.980 0.478 30 30
PRO A 31 0.995 0.974 0.937 0.888 31 31
SER A 32 0.979 0.985 0.431 32 32
VAL A 33 0.993 0.984 0.853 33 33
ARG A 34 0.993 0.967 0.823 0.997 0.709 0.996 1.000 34 34
VAL A 35 0.965 0.987 0.924 35 35
LYS A 36 0.987 0.998 0.691 0.996 0.873 0.998 36 36
THR A 37 0.998 0.991 0.998 37 37
GLU A 38 0.982 0.994 0.872 0.999 0.999 38 38
GLY A 39 0.960 0.936 39 39
TYR A 40 0.902 0.977 0.533 0.915 40 40
ASN A 41 0.976 0.961 0.474 0.916 41 41
PRO A 42 0.997 0.960 0.999 0.999 42 42
SER A 43 0.943 0.634 0.660
ILE A 44 0.745 0.973 0.924 0.338
ASN A 45 0.956 0.867 0.530 0.947 45
VAL A 46 0.969 0.982 0.523 46 46
ASN A 47 0.995 0.995 1.000 1.000 47 47
GLU A 48 0.980 0.986 0.999 0.921 0.957 48 48
LEU A 49 0.996 0.965 0.846 0.789 49 49
PHE A 50 0.956 0.989 0.488 0.997 50 50
ALA A 51 0.989 0.985 51 51
TYR A 52 0.966 0.984 0.539 0.995 52 52
VAL A 53 0.978 0.987 0.703 53 53
ASP A 54 0.988 0.996 1.000 0.987 54 54
LEU A 55 0.976 0.887 0.981 0.861 55
SER A 56 0.984 0.471 0.268
GLY A 57 0.324 0.512
SER A 58 0.708 0.539 0.400
GLU A 59 0.892 0.981 0.622 0.926 0.946 59
PRO A 60 0.991 0.976 0.913 0.837 60 60
GLY A 61 0.988 0.998 61 61
GLU A 62 0.997 0.993 0.594 1.000 0.975 62 62
HIS A 63 0.998 0.994 0.929 0.900 63 63
ASP A 64 0.997 0.990 0.817 0.985 64 64
TYR A 65 0.992 0.986 0.998 0.999 65 65
GLU A 66 0.996 0.998 1.000 0.999 0.982 66 66
VAL A 67 0.982 0.998 1.000 67 67
LYS A 68 0.995 0.944 1.000 0.996 0.998 0.995 68 68
VAL A 69 0.963 0.995 0.854 69 69
GLU A 70 0.996 0.992 0.628 0.534 0.904 70 70
PRO A 71 0.995 0.995 0.965 0.940 71 71
ILE A 72 0.985 0.988 0.999 0.964 72 72
PRO A 73 0.989 0.646 0.933 0.888
ASN A 74 0.608 0.831 0.935 0.974
ILE A 75 0.867 0.995 0.877 0.998 75
LYS A 76 0.993 0.991 0.795 1.000 0.999 0.998 76 76
ILE A 77 0.992 0.998 0.999 0.837 77 77
VAL A 78 0.999 0.999 1.000 78 78
GLU A 79 0.982 0.992 0.733 0.929 0.944 79 79
ILE A 80 0.990 0.811 0.703 0.999 80
SER A 81 0.857 0.997 1.000 81
PRO A 82 0.999 0.995 0.986 0.970 82 82
ARG A 83 0.977 0.995 0.924 0.657 0.998 0.734 1.000 83 83
VAL A 84 0.992 0.982 0.783 84 84
VAL A 85 0.989 0.997 0.786 85 85
THR A 86 0.996 0.997 1.000 86 86
LEU A 87 0.993 0.998 0.921 0.933 87 87
GLN A 88 0.995 0.994 1.000 0.999 0.994 88 88
LEU A 89 0.988 0.975 0.786 0.533 89 89
GLU A 90 0.977 0.976 0.712 0.589 0.947 90 90
HIS A 91 0.984 0.974 0.781 0.701 91 91
HIS A 92 0.960 0.263 0.855 0.414
HIS A 93 0.902 0.516 0.513 0.698
HIS A 94 0.667 0.269 0.433 0.435
HIS A 95 0.877 0.111 0.395 0.284
HIS A 96 0.642 0.685 0.553
JPEG image of S(phi)~Residue_number Plot
JPEG image of S(psi)~Residue_number Plot
Table of Backbone and Heavy Atom RMSD
Text report of backbone and heavy atom RMSD for ordered regions
>
> Kabsch RMSD data for family `DHR29B_R3_em_bcr3.pdb'
>
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 1 is: 0.497
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 2 is: 0.514
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 3 is: 0.820
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 4 is: 0.543
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 5 is: 0.783
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 6 is: 0.619
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 7 is: 1.042
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 8 is: 0.590
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 9 is: 0.918
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 10 is: 0.560
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 11 is: 0.916
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 12 is: 0.507
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 13 is: 0.670
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 14 is: 0.545
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 15 is: 0.927
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 16 is: 0.669
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 17 is: 1.049
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 18 is: 0.757
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 19 is: 0.828
> Kabsch RMSD of backbone atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 20 is: 0.445 (*)
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..17],[24..42],[46..54],[60..72],[76..79],[82..91], is: 0.710
> Range of RMSD values to reference struct. is 0.445 to 1.049
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 1 is: 1.082
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 2 is: 0.896
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 3 is: 1.209
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 4 is: 1.060
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 5 is: 1.251
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 6 is: 1.146
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 7 is: 1.407
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 8 is: 0.938
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 9 is: 1.324
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 10 is: 1.028
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 11 is: 1.359
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 12 is: 0.799 (*)
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 13 is: 1.057
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 14 is: 1.183
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 15 is: 1.227
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 16 is: 0.964
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 17 is: 1.487
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 18 is: 1.157
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 19 is: 1.313
> Kabsch RMSD of heavy atoms in res. A[9..17],A[24..42],A[46..54],A[60..72],A[76..79],A[82..91],for model 20 is: 0.963
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[9..17],[24..42],[46..54],[60..72],[76..79],[82..91], is: 1.142
> Range of RMSD values to reference struct. is 0.799 to 1.487
Text report of backbone RMSD for entire protein
> Kabsch RMSD of backb atoms in res. *[1..96],for model 1 is: 2.235
> Kabsch RMSD of backb atoms in res. *[1..96],for model 2 is: 2.413
> Kabsch RMSD of backb atoms in res. *[1..96],for model 3 is: 1.860
> Kabsch RMSD of backb atoms in res. *[1..96],for model 4 is: 1.547
> Kabsch RMSD of backb atoms in res. *[1..96],for model 5 is: 3.686
> Kabsch RMSD of backb atoms in res. *[1..96],for model 6 is: 2.096
> Kabsch RMSD of backb atoms in res. *[1..96],for model 7 is: 2.459
> Kabsch RMSD of backb atoms in res. *[1..96],for model 8 is: 2.326
> Kabsch RMSD of backb atoms in res. *[1..96],for model 9 is: 2.134
> Kabsch RMSD of backb atoms in res. *[1..96],for model 10 is: 2.064
> Kabsch RMSD of backb atoms in res. *[1..96],for model 11 is: 2.790
> Kabsch RMSD of backb atoms in res. *[1..96],for model 12 is: 2.518
> Kabsch RMSD of backb atoms in res. *[1..96],for model 13 is: 2.063
> Kabsch RMSD of backb atoms in res. *[1..96],for model 14 is: 1.339 (*)
> Kabsch RMSD of backb atoms in res. *[1..96],for model 15 is: 2.111
> Kabsch RMSD of backb atoms in res. *[1..96],for model 16 is: 1.615
> Kabsch RMSD of backb atoms in res. *[1..96],for model 17 is: 2.731
> Kabsch RMSD of backb atoms in res. *[1..96],for model 18 is: 2.107
> Kabsch RMSD of backb atoms in res. *[1..96],for model 19 is: 2.714
> Kabsch RMSD of backb atoms in res. *[1..96],for model 20 is: 1.823
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..96], is: 2.232
> Range of RMSD values to reference struct. is 1.339 to 3.686
Text report of heavy atom RMSD for entire protein
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 1 is: 2.719
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 2 is: 2.689
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 3 is: 2.382
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 4 is: 2.225
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 5 is: 3.972
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 6 is: 2.459
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 7 is: 2.778
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 8 is: 2.619
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 9 is: 2.825
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 10 is: 2.585
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 11 is: 2.965
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 12 is: 2.823
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 13 is: 2.438
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 14 is: 2.106
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 15 is: 2.606
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 16 is: 1.994 (*)
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 17 is: 3.290
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 18 is: 2.499
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 19 is: 3.056
> Kabsch RMSD of heavy atoms in res. *[1..96],for model 20 is: 2.241
>
> Kabsch RMSD statistics for 20 structures:
> Mean RMSD using as refer. str. `average' for res.[1..96], is: 2.664
> Range of RMSD values to reference struct. is 1.994 to 3.972
Summary of heavy atom and backbone RMSDs over the whole protein and ordered residues
RMSD Values
all residues ordered residues selected residues
All backbone atoms 2.2 0.7 0.7
All heavy atoms 2.7 1.2 1.2
Contact Map (constraints list and 3D Coordinates)
JPEG image of Contact Map for Constraints
JPEG image of Contact Map for Coordinates
Output from PROCHECK
Ramachandran Plot for all models
Text summary of Ramachandran Plot
+----------<<< P R O C H E C K S U M M A R Y >>>----------+
| |
| DHR29B_R3_em_bcr3_020.rin 0.0 1400 residues |
| |
| Ramachandran plot: 92.7% core 7.3% allow 0.0% gener 0.0% disall |
| |
+| All Ramachandrans: 10 labelled residues (out of1400) |
+| Chi1-chi2 plots: 1 labelled residues (out of 840) |
JPEG image for all model Ramachandran Plot
Residue Properties for all models
JPEG for all model Residue Properties - page $num_n
JPEG for all model Residue Properties - page $num_n
Model Secondary Structures from Procheck
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
JPEG for Model Secondary Structures - page $num_n
Ramachandran Plots for each residue
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
JPEG for residue Ramachandran Plots - page $num_n
Ramachandran analysis for each residue from Molprobity
Chi1-Chi2 Plots for each residue
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
JPEG for residue Chi1-Chi2 Plots - page $num_n
Procheck G-factors for phi-psi for each residue
JPEG image for residue phi-psi G-factors
Table of Procheck G-factors for phi-psi for ordered residues
#phipsi_gfactor
#Residue\Model average
9 -0.25
10 -0.09
11 -0.25
12 -0.65
13 -0.39
14 0.00
15 -0.28
16 -0.63
17 -1.10
24 -0.67
25 -0.37
26 -0.23
27 -0.72
28 -0.08
29 -0.43
30 -0.61
32 0.00
33 0.41
34 -0.65
35 -0.52
36 -0.48
37 0.06
38 -0.87
39 -1.11
40 -0.13
41 -1.24
42 -1.19
45 -0.51
46 -1.07
47 0.33
48 -0.64
49 -0.39
50 -0.26
51 -1.02
52 0.13
53 0.06
54 -0.12
55 -1.71
59 -0.60
60 0.11
61 -0.88
62 -0.73
63 -0.03
64 -0.39
65 0.34
66 -0.37
67 -0.13
68 -0.47
69 0.07
70 -0.77
71 -0.26
72 0.00
75 -0.38
76 -0.37
77 -0.17
78 -2.18
79 -0.71
80 -0.22
81 -0.93
82 0.11
83 -0.16
84 0.32
85 0.29
86 -0.51
87 -0.36
88 -0.51
89 -0.20
90 -1.22
91 -0.23
#Reported_Model_Average -0.423
#Overall_Average_Reported -0.423
Procheck G-factors for all dihedral angles for each residue
JPEG image for residue all dihedral G-factors
Table of Procheck G-factors for all dihedrals for ordered residues
#alldih_gfactor
#Residue\Model average
9 -0.25
10 0.33
11 0.16
12 0.08
13 -0.13
14 0.21
15 0.09
16 -0.12
17 -1.10
24 -0.29
25 0.06
26 0.24
27 -0.01
28 0.29
29 0.22
30 -0.30
32 0.12
33 0.53
34 0.12
35 -0.05
36 0.18
37 0.27
38 -0.02
39 -1.11
40 0.17
41 -0.93
42 -1.19
45 0.00
46 -0.71
47 0.77
48 0.24
49 0.14
50 0.02
51 -1.02
52 0.05
53 0.16
54 0.07
55 -0.52
59 0.23
60 0.11
61 -0.88
62 0.12
63 0.60
64 0.30
65 0.59
66 0.21
67 0.30
68 0.35
69 0.33
70 -0.16
71 -0.26
72 0.27
75 0.14
76 0.25
77 0.31
78 -0.71
79 0.05
80 0.22
81 -0.38
82 0.11
83 0.14
84 0.38
85 0.42
86 -0.04
87 0.24
88 0.09
89 -0.14
90 -0.27
91 0.15
#Reported_Model_Average -0.002
#Overall_Average_Reported -0.002
Output from Verify3D
Verify3D Score over a window of $winsize_s residues
JPEG image for Verify3D Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
9 0.44 -0.11 0.44 0.44 0.44 -0.07 -0.11 0.44 0.44 0.44 0.64 -0.11 -0.11 0.64 -0.11 0.44 0.44 0.44 -0.07 -0.11
10 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.95 0.95 0.79 0.79 0.79 0.79 0.95 0.79 0.95 0.95
11 1.07 1.07 0.36 0.36 0.36 1.07 1.07 0.36 1.07 0.36 1.07 1.07 1.07 1.07 1.07 0.36 1.07 0.36 1.07 1.07
12 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 0.79 -0.17 0.79 0.79
13 1.07 1.07 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 1.07 0.36 1.07 0.36 0.36 0.36 1.07 1.07 1.07 1.07
14 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
15 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
16 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35
17 0.59 0.59 0.59 0.59 -0.52 0.59 0.14 0.59 0.59 0.59 0.59 0.14 0.14 0.59 0.59 0.59 -0.52 0.59 0.59 0.59
24 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
25 -0.76 -0.76 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.76 -0.68 -0.76 -0.76 -0.76 -0.68 -0.40 -0.68 -0.76 -0.76 -0.68 -0.76
26 1.50 0.26 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.07 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.07 1.50
27 -0.83 -0.83 -0.83 -0.83 0.23 -0.83 0.23 -0.83 -0.83 0.23 -0.83 -0.83 0.23 -0.83 -0.83 -0.83 -0.83 -0.83 0.23 -0.83
28 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
29 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
30 1.06 1.06 0.77 1.06 0.77 0.77 1.06 0.77 0.77 0.77 0.77 1.06 0.77 1.06 0.77 0.77 1.06 -0.33 0.77 0.77
31 0.64 0.44 0.64 0.64 0.64 0.44 0.64 0.44 0.44 0.44 0.64 0.64 0.44 0.44 0.64 0.44 0.44 0.64 0.44 0.64
32 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34
33 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 0.71 1.18 1.18
34 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 -1.12 0.19 -1.12 -1.12 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19
35 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
36 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55
37 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
38 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
39 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
40 1.25 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 1.25 1.25 -0.43 -0.43 -0.43 1.25 1.25 1.25 -0.43 1.25 -0.43 -0.43
41 -2.61 -0.26 -0.26 -2.61 -0.26 0.51 0.09 -0.26 -0.26 -0.26 0.51 0.51 -0.56 -0.26 -2.61 -0.56 -0.26 -0.26 -0.26 -0.26
42 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25
45 0.41 0.51 0.51 0.41 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.41 0.51 0.51
46 -0.74 -0.74 1.00 -0.09 -0.74 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 0.66 0.66 -0.09 -0.09 -0.09 -0.74 1.00 -0.09 -0.74
47 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
48 0.28 0.28 0.28 0.04 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.28 0.28
49 1.06 0.77 0.29 1.06 1.06 0.77 1.06 0.29 1.06 1.06 0.77 1.06 1.06 1.06 0.77 1.06 1.06 -0.68 1.06 1.06
50 0.71 0.71 -0.84 0.71 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 -0.84 -0.84 0.71 0.71 0.71 0.71 -0.84 0.71 0.71
51 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
52 1.09 1.09 1.30 1.09 1.30 1.09 1.30 1.09 1.09 1.30 1.09 1.09 1.30 1.30 1.09 1.30 1.30 1.09 1.09 1.09
53 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
54 -0.03 -0.61 -0.03 -0.61 -0.61 -0.03 -0.03 -0.03 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
55 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06
59 0.28 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28
60 0.25 0.25 0.44 0.25 0.44 0.64 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.25
61 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
62 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
63 0.80 0.80 -0.49 -0.49 0.80 0.80 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49
64 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30
65 1.09 1.09 1.09 1.30 1.30 1.30 1.30 1.09 1.09 1.30 1.30 1.09 1.09 1.09 1.09 1.30 1.09 1.09 1.09 1.30
66 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
67 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 0.71
68 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -1.54 0.55
69 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18 1.18
70 -0.59 0.28 -0.59 -0.59 -0.46 0.28 -0.59 -1.13 0.28 -0.59 0.28 0.28 -0.59 -0.59 0.28 -0.59 -0.59 0.28 0.28 -0.59
71 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
72 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
75 -0.54 0.81 -0.54 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81
76 0.55 -1.54 -1.54 0.55 -1.54 0.55 -1.54 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
77 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07
78 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
79 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
80 -0.94 0.81 0.81 0.81 0.81 -0.28 0.81 -0.54 0.81 0.81 0.81 -0.54 0.81 -0.54 0.81 0.81 0.81 0.81 -0.54 0.81
81 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
82 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.64
83 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
84 0.08 0.44 0.44 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
85 1.18 0.71 0.44 1.18 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18
86 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
87 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
88 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.52 -2.38 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
89 0.36 0.36 0.14 0.36 0.36 0.14 0.36 0.36 0.14 0.14 0.36 0.36 0.36 0.36 0.36 0.14 0.36 0.14 0.36 1.07
90 -0.42 0.41 0.41 -0.20 0.41 0.41 0.41 0.41 0.41 -0.42 -0.68 0.41 -0.20 -0.42 0.41 0.41 0.41 -0.42 0.41 -0.42
91 -0.49 -0.49 -0.49 -0.49 -0.49 -0.53 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 0.80 0.80 -0.49
#Reported_Model_Average 0.448 0.444 0.407 0.404 0.448 0.454 0.450 0.389 0.474 0.501 0.425 0.477 0.452 0.465 0.429 0.493 0.463 0.453 0.495 0.469
#Overall_Average_Reported 0.452
Output from ProsaII
ProsaII Score over a window of $winsize_s residues
JPEG image for ProsaII Score
Table of Verify3D scores for ordered residues across all models
#verify3d
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
9 0.44 -0.11 0.44 0.44 0.44 -0.07 -0.11 0.44 0.44 0.44 0.64 -0.11 -0.11 0.64 -0.11 0.44 0.44 0.44 -0.07 -0.11
10 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.95 0.95 0.95 0.79 0.79 0.79 0.79 0.95 0.79 0.95 0.95
11 1.07 1.07 0.36 0.36 0.36 1.07 1.07 0.36 1.07 0.36 1.07 1.07 1.07 1.07 1.07 0.36 1.07 0.36 1.07 1.07
12 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 0.79 0.79 -0.17 0.79 0.79 0.79 -0.17 0.79 0.79
13 1.07 1.07 0.36 0.36 0.36 0.36 0.36 0.36 0.36 0.36 1.07 0.36 1.07 0.36 0.36 0.36 1.07 1.07 1.07 1.07
14 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
15 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
16 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 0.09 -0.35 -0.35 -0.35 -0.35 -0.35 -0.35 0.09 -0.35
17 0.59 0.59 0.59 0.59 -0.52 0.59 0.14 0.59 0.59 0.59 0.59 0.14 0.14 0.59 0.59 0.59 -0.52 0.59 0.59 0.59
24 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49 0.49
25 -0.76 -0.76 -0.68 -0.68 -0.68 -0.68 -0.68 -0.68 -0.76 -0.68 -0.76 -0.76 -0.76 -0.68 -0.40 -0.68 -0.76 -0.76 -0.68 -0.76
26 1.50 0.26 1.50 1.50 1.50 1.50 1.50 1.50 1.07 1.50 1.07 1.50 1.50 1.50 1.07 1.50 1.50 1.50 1.07 1.50
27 -0.83 -0.83 -0.83 -0.83 0.23 -0.83 0.23 -0.83 -0.83 0.23 -0.83 -0.83 0.23 -0.83 -0.83 -0.83 -0.83 -0.83 0.23 -0.83
28 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
29 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10 -0.10
30 1.06 1.06 0.77 1.06 0.77 0.77 1.06 0.77 0.77 0.77 0.77 1.06 0.77 1.06 0.77 0.77 1.06 -0.33 0.77 0.77
31 0.64 0.44 0.64 0.64 0.64 0.44 0.64 0.44 0.44 0.44 0.64 0.64 0.44 0.44 0.64 0.44 0.44 0.64 0.44 0.64
32 0.34 0.17 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.17 0.34
33 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 1.18 1.18 1.18 0.71 1.18 1.18
34 0.19 0.19 0.19 0.19 0.19 0.19 -1.12 -1.12 0.19 -1.12 -1.12 0.19 -1.12 0.19 0.19 0.19 0.19 0.19 0.19 0.19
35 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
36 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.35 0.55 0.55 0.55
37 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95 0.95
38 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
39 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10 1.10
40 1.25 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 -0.43 1.25 1.25 -0.43 -0.43 -0.43 1.25 1.25 1.25 -0.43 1.25 -0.43 -0.43
41 -2.61 -0.26 -0.26 -2.61 -0.26 0.51 0.09 -0.26 -0.26 -0.26 0.51 0.51 -0.56 -0.26 -2.61 -0.56 -0.26 -0.26 -0.26 -0.26
42 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25
45 0.41 0.51 0.51 0.41 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.51 0.51 0.41 0.51 0.51 0.51 0.41 0.51 0.51
46 -0.74 -0.74 1.00 -0.09 -0.74 -0.74 -0.09 -0.09 -0.09 -0.09 -0.09 0.66 0.66 -0.09 -0.09 -0.09 -0.74 1.00 -0.09 -0.74
47 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
48 0.28 0.28 0.28 0.04 0.04 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.04 0.28 0.28 0.04 0.04 0.28 0.28 0.28
49 1.06 0.77 0.29 1.06 1.06 0.77 1.06 0.29 1.06 1.06 0.77 1.06 1.06 1.06 0.77 1.06 1.06 -0.68 1.06 1.06
50 0.71 0.71 -0.84 0.71 0.71 -0.84 0.71 0.71 -0.84 0.71 -0.84 -0.84 -0.84 0.71 0.71 0.71 0.71 -0.84 0.71 0.71
51 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59 0.59
52 1.09 1.09 1.30 1.09 1.30 1.09 1.30 1.09 1.09 1.30 1.09 1.09 1.30 1.30 1.09 1.30 1.30 1.09 1.09 1.09
53 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18
54 -0.03 -0.61 -0.03 -0.61 -0.61 -0.03 -0.03 -0.03 -0.03 -0.61 -0.03 -0.03 -0.61 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03
55 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 1.06 0.77 1.06 1.06 1.06 1.06 1.06 1.06 1.06
59 0.28 0.28 0.04 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.28 0.28 0.04 0.28 0.28 0.28 0.28 0.04 0.28 0.28
60 0.25 0.25 0.44 0.25 0.44 0.64 0.44 0.25 0.44 0.44 0.44 0.25 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.25
61 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75 1.75
62 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
63 0.80 0.80 -0.49 -0.49 0.80 0.80 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 -0.49 0.80 -0.49
64 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.03 -0.30
65 1.09 1.09 1.09 1.30 1.30 1.30 1.30 1.09 1.09 1.30 1.30 1.09 1.09 1.09 1.09 1.30 1.09 1.09 1.09 1.30
66 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41 0.41
67 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.71 0.71
68 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 -1.54 0.55
69 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18 1.18
70 -0.59 0.28 -0.59 -0.59 -0.46 0.28 -0.59 -1.13 0.28 -0.59 0.28 0.28 -0.59 -0.59 0.28 -0.59 -0.59 0.28 0.28 -0.59
71 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25 0.25
72 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93 0.93
75 -0.54 0.81 -0.54 -0.54 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 0.81 -0.54 0.81 0.81 0.81 0.81 0.81
76 0.55 -1.54 -1.54 0.55 -1.54 0.55 -1.54 -1.54 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55 0.55
77 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 0.26 1.07 1.07 1.07 1.07 1.07
78 -0.09 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.09 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74 -0.74
79 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28 0.28
80 -0.94 0.81 0.81 0.81 0.81 -0.28 0.81 -0.54 0.81 0.81 0.81 -0.54 0.81 -0.54 0.81 0.81 0.81 0.81 -0.54 0.81
81 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.17 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34 0.34
82 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.25 0.44 0.44 0.44 0.44 0.44 0.44 0.44 0.64 0.44 0.44 0.64
83 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24 0.24
84 0.08 0.44 0.44 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08 0.08
85 1.18 0.71 0.44 1.18 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18 1.18 1.18 1.18 1.18 0.44 1.18 1.18 1.18
86 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79 0.79
87 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07
88 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.52 -2.38 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10 0.10
89 0.36 0.36 0.14 0.36 0.36 0.14 0.36 0.36 0.14 0.14 0.36 0.36 0.36 0.36 0.36 0.14 0.36 0.14 0.36 1.07
90 -0.42 0.41 0.41 -0.20 0.41 0.41 0.41 0.41 0.41 -0.42 -0.68 0.41 -0.20 -0.42 0.41 0.41 0.41 -0.42 0.41 -0.42
91 -0.49 -0.49 -0.49 -0.49 -0.49 -0.53 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 0.80 -0.49 -0.49 -0.49 -0.49 0.80 0.80 -0.49
#Reported_Model_Average 0.448 0.444 0.407 0.404 0.448 0.454 0.450 0.389 0.474 0.501 0.425 0.477 0.452 0.465 0.429 0.493 0.463 0.453 0.495 0.469
#Overall_Average_Reported 0.452
Output from MolProbity
VdW violations from MAGE
JPEG image for MAGE VdW violation
Table of MAGE VdW violations for ordered residues across all models
#mage_clash
#Residue\Model 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
9.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1
10.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2
11.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
12.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
13.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0
14.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
15.000 0 0 1 0 0 0 0 0 0 0 1 0 0 0 1 0 1 1 1 0
16.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
17.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
24.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
25.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
26.000 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
27.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
28.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
29.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
30.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0
31.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
32.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
33.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1
34.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
35.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
36.000 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1
37.000 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 1 0 0 1
38.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
39.000 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
40.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
41.000 0 3 1 1 0 3 0 0 1 3 0 1 2 1 0 1 0 0 0 1
42.000 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
45.000 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0
46.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
47.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
48.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
49.000 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0
50.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
51.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
52.000 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0
53.000 1 0 1 1 0 0 0 0 0 1 1 0 1 1 1 0 0 1 0 0
54.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
55.000 1 0 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0
59.000 0 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
60.000 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
61.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
62.000 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0
63.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
64.000 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0
65.000 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
66.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
67.000 1 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0
68.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
69.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0
70.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0
71.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
72.000 0 1 1 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0
75.000 0 0 2 0 2 0 0 1 0 0 0 0 0 1 0 1 1 0 0 1
76.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
77.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
78.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
79.000 0 0 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 1
80.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
81.000 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 1 1 0 0 0
82.000 0 0 0 0 0 0 0 0 1 1 1 0 0 1 0 1 1 0 0 1
83.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
84.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
85.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
86.000 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0
87.000 1 2 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0
88.000 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 1 0 0
89.000 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0
90.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
91.000 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
#Reported_Model_Average 0.057 0.186 0.129 0.071 0.129 0.043 0.043 0.043 0.043 0.157 0.086 0.071 0.157 0.114 0.086 0.071 0.129 0.143 0.043 0.143
#Overall_Average_Reported 0.097
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 87 LEU 2HD1 :A 55 LEU 1HD1 : -0.437: 0
: 1508:A 67 VAL 2HG2 :A 53 VAL 2HG2 : -0.424: 0
#sum2 ::1.33 clashscore : 1.33 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168511 potential dots:10530.0 A^2:2 bumps:2 bumps B<40:511.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.533: 0
: 1508:A 41 ASN CG :A 41 ASN O : -0.424: 0
: 1508:A 87 LEU 1HD1 :A 26 ILE 3HG2 : -0.500: 0
: 1508:A 87 LEU 2HD1 :A 28 THR HB : -0.415: 0
: 1508:A 49 LEU HG :A 72 ILE 1HG1 : -0.453: 0
: 1508:A 88 GLN HA :A 62 GLU HA : -0.432: 0
: 1508:A 60 PRO 2HD :A 59 GLU HA : -0.404: 0
#sum2 ::4.64 clashscore : 4.64 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168576 potential dots:10540.0 A^2:7 bumps:7 bumps B<40:461.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 72 ILE 1HG2 :A 75 ILE HB : -0.512: 0
: 1508:A 41 ASN 1HB :A 75 ILE 1HD1 : -0.426: 0
: 1508:A 43 SER H :A 42 PRO 1HG : -0.419: 0
: 1508:A 53 VAL 3HG2 :A 15 LEU 1HD1 : -0.411: 0
: 1508:A 89 LEU 1HB :A 60 PRO HA : -0.401: 0
#sum2 ::3.32 clashscore : 3.32 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168588 potential dots:10540.0 A^2:5 bumps:5 bumps B<40:501.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 74 ASN 1HB :A 73 PRO O : -0.472: 0
: 1508:A 36 LYS 1HB :A 79 GLU 2HB : -0.432: 0
: 1508:A 41 ASN 2HB :A 2 SER HA : -0.420: 0
: 1508:A 67 VAL 2HG2 :A 53 VAL 2HG2 : -0.417: 0
#sum2 ::2.65 clashscore : 2.65 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168428 potential dots:10530.0 A^2:4 bumps:4 bumps B<40:481.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 18 LYS 1HB :A 52 TYR 1HB : -0.459: 0
: 1508:A 26 ILE 2HG1 :A 55 LEU 1HD1 : -0.439: 0
: 1508:A 89 LEU 2HB :A 24 SER 1HB : -0.438: 0
: 1508:A 37 THR HB :A 75 ILE CG2 : -0.434: 0
: 1508:A 39 GLY 2HA :A 75 ILE HA : -0.401: 0
#sum2 ::3.32 clashscore : 3.32 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168653 potential dots:10540.0 A^2:5 bumps:5 bumps B<40:485.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.472: 0
: 1508:A 41 ASN CG :A 41 ASN O : -0.401: 0
: 1508:A 74 ASN 1HB :A 73 PRO O : -0.423: 0
#sum2 ::1.99 clashscore : 1.99 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168397 potential dots:10520.0 A^2:3 bumps:3 bumps B<40:490.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 9 PRO 1HB :A 37 THR OG1 : -0.437: 0
: 1508:A 2 SER H :A 45 ASN HA : -0.414: 0
#sum2 ::1.33 clashscore : 1.33 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168406 potential dots:10530.0 A^2:2 bumps:2 bumps B<40:565.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 74 ASN 1HB :A 73 PRO O : -0.462: 0
: 1508:A 55 LEU 2HD1 :A 20 THR HA : -0.461: 0
: 1508:A 37 THR HB :A 75 ILE CG2 : -0.408: 0
#sum2 ::1.99 clashscore : 1.99 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168653 potential dots:10540.0 A^2:3 bumps:3 bumps B<40:479.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.462: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.401: 0
#sum2 ::1.33 clashscore : 1.33 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168574 potential dots:10540.0 A^2:2 bumps:2 bumps B<40:549.5 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 64 ASP HA :A 86 THR HA : -0.447: 0
: 1508:A 67 VAL 2HG2 :A 53 VAL 2HG2 : -0.435: 0
: 1508:A 36 LYS 1HB :A 79 GLU 2HB : -0.412: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.405: 0
: 1508:A 41 ASN O :A 41 ASN OD1 : -0.401: 0
: 1508:A 44 ILE 2HD1 :A 41 ASN HA : -0.401: 0
#sum2 ::3.98 clashscore : 3.98 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168447 potential dots:10530.0 A^2:6 bumps:6 bumps B<40:523.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 74 ASN H :A 72 ILE 2HG2 : -0.447: 0
: 1508:A 53 VAL HB :A 15 LEU 1HD1 : -0.434: 0
: 1508:A 52 TYR 2HB :A 18 LYS 1HB : -0.406: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.401: 0
#sum2 ::2.65 clashscore : 2.65 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168569 potential dots:10540.0 A^2:4 bumps:4 bumps B<40:504.3 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.549: 0
: 1508:A 88 GLN HA :A 62 GLU HA : -0.432: 0
: 1508:A 55 LEU 2HD2 :A 89 LEU 1HD1 : -0.423: 0
: 1508:A 74 ASN 1HB :A 73 PRO O : -0.405: 0
#sum2 ::2.65 clashscore : 2.65 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168590 potential dots:10540.0 A^2:4 bumps:4 bumps B<40:501.2 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 65 TYR CE1 :A 63 HIS 1HB : -0.498: 0
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.494: 0
: 1508:A 41 ASN N :A 42 PRO CD : -0.465: 0
: 1508:A 64 ASP HA :A 86 THR HA : -0.488: 0
: 1508:A 60 PRO 2HD :A 59 GLU HA : -0.423: 0
: 1508:A 53 VAL 1HG2 :A 87 LEU 1HD1 : -0.419: 0
#sum2 ::3.98 clashscore : 3.98 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168524 potential dots:10530.0 A^2:6 bumps:6 bumps B<40:521.4 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 41 ASN H :A 75 ILE 1HD1 : -0.420: 0
: 1508:A 67 VAL 2HG2 :A 53 VAL 2HG2 : -0.418: 0
: 1508:A 19 ASN 1HB :A 18 LYS O : -0.417: 0
: 1508:A 36 LYS 2HB :A 79 GLU 1HB : -0.400: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.400: 0
#sum2 ::3.32 clashscore : 3.32 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168567 potential dots:10540.0 A^2:5 bumps:5 bumps B<40:526.1 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 53 VAL HB :A 15 LEU 1HD1 : -0.463: 0
: 1508:A 72 ILE 2HG1 :A 70 GLU O : -0.461: 0
: 1508:A 62 GLU HA :A 88 GLN HA : -0.400: 0
#sum2 ::1.99 clashscore : 1.99 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168641 potential dots:10540.0 A^2:3 bumps:3 bumps B<40:522.7 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 82 PRO HA :A 81 SER HA : -0.422: 0
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.417: 0
: 1508:A 37 THR HB :A 75 ILE CG2 : -0.406: 0
#sum2 ::1.99 clashscore : 1.99 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168304 potential dots:10520.0 A^2:3 bumps:3 bumps B<40:531 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 49 LEU 2HB :A 46 VAL HA : -0.515: 0
: 1508:A 33 VAL 3HG2 :A 15 LEU 1HB : -0.503: 0
: 1508:A 37 THR HB :A 75 ILE CG2 : -0.465: 0
: 1508:A 82 PRO HA :A 81 SER HA : -0.422: 0
: 1508:A 21 PRO 1HB :A 24 SER H : -0.419: 0
#sum2 ::3.32 clashscore : 3.32 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168496 potential dots:10530.0 A^2:5 bumps:5 bumps B<40:486.6 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 13 LEU O :A 13 LEU 2HD1 : -0.557: 0
: 1508:A 13 LEU 1HB :A 50 PHE HA : -0.453: 0
: 1508:A 51 ALA HA :A 69 VAL HA : -0.457: 0
: 1508:A 88 GLN HA :A 62 GLU HA : -0.409: 0
: 1508:A 53 VAL 3HG1 :A 15 LEU 1HD1 : -0.400: 0
#sum2 ::3.32 clashscore : 3.32 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168506 potential dots:10530.0 A^2:5 bumps:5 bumps B<40:566.8 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 8 ASP N :A 9 PRO 2HD : -0.479: 0
: 1508:A 15 LEU 2HB :A 30 LEU 2HB : -0.430: 0
#sum2 ::1.33 clashscore : 1.33 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168368 potential dots:10520.0 A^2:2 bumps:2 bumps B<40:531.9 score
List of bad contacts calculated by MAGE for model $num_n
/farm/software/bin/probe
: 1508:A 19 ASN 1HB :A 18 LYS O : -0.519: 0
: 1508:A 10 THR CB :A 3 GLN 2HG : -0.459: 0
: 1508:A 3 GLN 2HG :A 10 THR HB : -0.404: 0
: 1508:A 41 ASN 1HB :A 44 ILE HB : -0.455: 0
: 1508:A 36 LYS 2HB :A 79 GLU 2HB : -0.443: 0
: 1508:A 33 VAL HA :A 82 PRO 1HD : -0.415: 0
: 1508:A 8 ASP N :A 9 PRO 2HD : -0.409: 0
: 1508:A 37 THR HB :A 75 ILE CG2 : -0.403: 0
#sum2 ::5.31 clashscore : 5.31 clashscore B<40
#summary::1508 atoms:1508 atoms B<40:168477 potential dots:10530.0 A^2:8 bumps:8 bumps B<40:518.5 score
Output from PDB validation software
Summary from PDB validation
May. 10, 00:51:14 2013
[ Text modified to reflect that this was run under PSVS - Aneerban Bhattacharya: Dec 2005 ]
The following checks were made on :
-----------------------------------------
CLOSE CONTACTS
==> Distances smaller than 2.2 Angstroms are considered as close contacts
for heavy atoms, 1.6 Angstroms for hydrogens.
none
DISTANCES AND ANGLES
We have checked your intra and intermolecular distances and angles with the
procedures currently in place at PDB:
==> Bond and angle checks are performed by first computing the average rms
error for all bonds and angles relative to standard values for nucleotide
units [L. Clowney et al., Geometric Parameters in Nucleic Acids: Nitrogenous
Bases, J.Am.Chem.Soc. 1996, 118, 509-518; A. Gelbin et al., Geometric
Parameters in Nucleic Acids: Sugar and Phosphate Constituents, J.Am.Chem.Soc.
1996, 118, 519-529] and amino acid units [R.A. Engh and R. Huber, Accurate
Bond and Angle Parameters for X-ray protein structure refinement, Acta
Crystallogr. 1991, A47, 392-400]. Any bond or angle which deviates from the
dictionary values by more than six times this computed rms error is
identified as an outlier.
*** Covalent Bond Lengths:
The RMS deviation for covalent bonds relative to the standard
dictionary is 0.010 Angstroms
All covalent bonds lie within a 6.0*RMSD range about the
standard dictionary values.
*** Covalent Angle Values:
The RMS deviation for covalent angles relative to the standard
dictionary is 0.7 degrees.
The following table contains a list of the covalent bond angles
greater than 6.0*RMSD.
Deviation Residue Chain Sequence Model AT1 - AT2 - AT3 Bond Dictionary
Name ID Number Angle Value
--------------------------------------------------------------------------------
-4.2 HIS A 95 12 N - CA - C 107.0 111.2
TORSION ANGLES
The torsion angle distributions have been checked. The postscript file of the
conformation rings showing the torsion angle distributions will be sent in a
separate E-mail message.
CHIRALITY
The chirality has been checked. O1P, O2P, and hydrogen atoms which do not
follow the convention defined in the IUBMB (Liebecq, C. Compendium of
Biochemical Nomenclature and Related Documents, 2nd ed.; Portland Press:
London and Chapel Hill, 1992) and IUPAC nomenclature (J.L. Markley, A. Bax,
Y. Arata, C.W. Hilbers, R. Kaptein, B.D. Sykes, P.E. Wright and K. Wüthrich,
Recommendations for the Presentation of NMR Structures of Proteins and
Nucleic Acids, Pure & Appl. Chem., Vol. 70, pp. 117-142, 1998) have been
standardized. Any other stereochemical violations are listed below.
E/Z NOMENCLATURE
E/Z nomenclature of hydrogens and/or nitrogens on Arg, Asn or Gln residues needs
to be corrected to conform with the standard for E/Z orientation presented in
[J.L. Markley, et al., Recommendations for the Presentation of NMR Structures of
Proteins and Nucleic Acids, Pure & Appl. Chem., 1998, 70, 117-142].
Model Chain Residue Residue Atom Name Original
Name Number Atom Name
----- ----- ------- ------- -------- ---------
1 A GLN 3 1HE2
1 A GLN 3 2HE2
1 A ASN 19 1HD2
1 A ASN 19 2HD2
1 A ASN 23 1HD2
1 A ASN 23 2HD2
1 A ASN 41 1HD2
1 A ASN 41 2HD2
1 A ASN 45 1HD2
1 A ASN 45 2HD2
1 A ASN 47 1HD2
1 A ASN 47 2HD2
1 A ASN 74 1HD2
1 A ASN 74 2HD2
1 A GLN 88 1HE2
1 A GLN 88 2HE2
2 A GLN 3 1HE2
2 A GLN 3 2HE2
2 A ASN 19 1HD2
2 A ASN 19 2HD2
2 A ASN 23 1HD2
2 A ASN 23 2HD2
2 A ASN 41 1HD2
2 A ASN 41 2HD2
2 A ASN 45 1HD2
2 A ASN 45 2HD2
2 A ASN 47 1HD2
2 A ASN 47 2HD2
2 A ASN 74 1HD2
2 A ASN 74 2HD2
2 A GLN 88 1HE2
2 A GLN 88 2HE2
3 A GLN 3 1HE2
3 A GLN 3 2HE2
3 A ASN 19 1HD2
3 A ASN 19 2HD2
3 A ASN 23 1HD2
3 A ASN 23 2HD2
3 A ASN 41 1HD2
3 A ASN 41 2HD2
3 A ASN 45 1HD2
3 A ASN 45 2HD2
3 A ASN 47 1HD2
3 A ASN 47 2HD2
3 A ASN 74 1HD2
3 A ASN 74 2HD2
3 A GLN 88 1HE2
3 A GLN 88 2HE2
4 A GLN 3 1HE2
4 A GLN 3 2HE2
4 A ASN 19 1HD2
4 A ASN 19 2HD2
4 A ASN 23 1HD2
4 A ASN 23 2HD2
4 A ASN 41 1HD2
4 A ASN 41 2HD2
4 A ASN 45 1HD2
4 A ASN 45 2HD2
4 A ASN 47 1HD2
4 A ASN 47 2HD2
4 A ASN 74 1HD2
4 A ASN 74 2HD2
4 A GLN 88 1HE2
4 A GLN 88 2HE2
5 A GLN 3 1HE2
5 A GLN 3 2HE2
5 A ASN 19 1HD2
5 A ASN 19 2HD2
5 A ASN 23 1HD2
5 A ASN 23 2HD2
5 A ASN 41 1HD2
5 A ASN 41 2HD2
5 A ASN 45 1HD2
5 A ASN 45 2HD2
5 A ASN 47 1HD2
5 A ASN 47 2HD2
5 A ASN 74 1HD2
5 A ASN 74 2HD2
5 A GLN 88 1HE2
5 A GLN 88 2HE2
6 A GLN 3 1HE2
6 A GLN 3 2HE2
6 A ASN 19 1HD2
6 A ASN 19 2HD2
6 A ASN 23 1HD2
6 A ASN 23 2HD2
6 A ASN 41 1HD2
6 A ASN 41 2HD2
6 A ASN 45 1HD2
6 A ASN 45 2HD2
6 A ASN 47 1HD2
6 A ASN 47 2HD2
6 A ASN 74 1HD2
6 A ASN 74 2HD2
6 A GLN 88 1HE2
6 A GLN 88 2HE2
7 A GLN 3 1HE2
7 A GLN 3 2HE2
7 A ASN 19 1HD2
7 A ASN 19 2HD2
7 A ASN 23 1HD2
7 A ASN 23 2HD2
7 A ASN 41 1HD2
7 A ASN 41 2HD2
7 A ASN 45 1HD2
7 A ASN 45 2HD2
7 A ASN 47 1HD2
7 A ASN 47 2HD2
7 A ASN 74 1HD2
7 A ASN 74 2HD2
7 A GLN 88 1HE2
7 A GLN 88 2HE2
8 A GLN 3 1HE2
8 A GLN 3 2HE2
8 A ASN 19 1HD2
8 A ASN 19 2HD2
8 A ASN 23 1HD2
8 A ASN 23 2HD2
8 A ASN 41 1HD2
8 A ASN 41 2HD2
8 A ASN 45 1HD2
8 A ASN 45 2HD2
8 A ASN 47 1HD2
8 A ASN 47 2HD2
8 A ASN 74 1HD2
8 A ASN 74 2HD2
8 A GLN 88 1HE2
8 A GLN 88 2HE2
9 A GLN 3 1HE2
9 A GLN 3 2HE2
9 A ASN 19 1HD2
9 A ASN 19 2HD2
9 A ASN 23 1HD2
9 A ASN 23 2HD2
9 A ASN 41 1HD2
9 A ASN 41 2HD2
9 A ASN 45 1HD2
9 A ASN 45 2HD2
9 A ASN 47 1HD2
9 A ASN 47 2HD2
9 A ASN 74 1HD2
9 A ASN 74 2HD2
9 A GLN 88 1HE2
9 A GLN 88 2HE2
10 A GLN 3 1HE2
10 A GLN 3 2HE2
10 A ASN 19 1HD2
10 A ASN 19 2HD2
10 A ASN 23 1HD2
10 A ASN 23 2HD2
10 A ASN 41 1HD2
10 A ASN 41 2HD2
10 A ASN 45 1HD2
10 A ASN 45 2HD2
10 A ASN 47 1HD2
10 A ASN 47 2HD2
10 A ASN 74 1HD2
10 A ASN 74 2HD2
10 A GLN 88 1HE2
10 A GLN 88 2HE2
11 A GLN 3 1HE2
11 A GLN 3 2HE2
11 A ASN 19 1HD2
11 A ASN 19 2HD2
11 A ASN 23 1HD2
11 A ASN 23 2HD2
11 A ASN 41 1HD2
11 A ASN 41 2HD2
11 A ASN 45 1HD2
11 A ASN 45 2HD2
11 A ASN 47 1HD2
11 A ASN 47 2HD2
11 A ASN 74 1HD2
11 A ASN 74 2HD2
11 A GLN 88 1HE2
11 A GLN 88 2HE2
12 A GLN 3 1HE2
12 A GLN 3 2HE2
12 A ASN 19 1HD2
12 A ASN 19 2HD2
12 A ASN 23 1HD2
12 A ASN 23 2HD2
12 A ASN 41 1HD2
12 A ASN 41 2HD2
12 A ASN 45 1HD2
12 A ASN 45 2HD2
12 A ASN 47 1HD2
12 A ASN 47 2HD2
12 A ASN 74 1HD2
12 A ASN 74 2HD2
12 A GLN 88 1HE2
12 A GLN 88 2HE2
13 A GLN 3 1HE2
13 A GLN 3 2HE2
13 A ASN 19 1HD2
13 A ASN 19 2HD2
13 A ASN 23 1HD2
13 A ASN 23 2HD2
13 A ASN 41 1HD2
13 A ASN 41 2HD2
13 A ASN 45 1HD2
13 A ASN 45 2HD2
13 A ASN 47 1HD2
13 A ASN 47 2HD2
13 A ASN 74 1HD2
13 A ASN 74 2HD2
13 A GLN 88 1HE2
13 A GLN 88 2HE2
14 A GLN 3 1HE2
14 A GLN 3 2HE2
14 A ASN 19 1HD2
14 A ASN 19 2HD2
14 A ASN 23 1HD2
14 A ASN 23 2HD2
14 A ASN 41 1HD2
14 A ASN 41 2HD2
14 A ASN 45 1HD2
14 A ASN 45 2HD2
14 A ASN 47 1HD2
14 A ASN 47 2HD2
14 A ASN 74 1HD2
14 A ASN 74 2HD2
14 A GLN 88 1HE2
14 A GLN 88 2HE2
15 A GLN 3 1HE2
15 A GLN 3 2HE2
15 A ASN 19 1HD2
15 A ASN 19 2HD2
15 A ASN 23 1HD2
15 A ASN 23 2HD2
15 A ASN 41 1HD2
15 A ASN 41 2HD2
15 A ASN 45 1HD2
15 A ASN 45 2HD2
15 A ASN 47 1HD2
15 A ASN 47 2HD2
15 A ASN 74 1HD2
15 A ASN 74 2HD2
15 A GLN 88 1HE2
15 A GLN 88 2HE2
16 A GLN 3 1HE2
16 A GLN 3 2HE2
16 A ASN 19 1HD2
16 A ASN 19 2HD2
16 A ASN 23 1HD2
16 A ASN 23 2HD2
16 A ASN 41 1HD2
16 A ASN 41 2HD2
16 A ASN 45 1HD2
16 A ASN 45 2HD2
16 A ASN 47 1HD2
16 A ASN 47 2HD2
16 A ASN 74 1HD2
16 A ASN 74 2HD2
16 A GLN 88 1HE2
16 A GLN 88 2HE2
17 A GLN 3 1HE2
17 A GLN 3 2HE2
17 A ASN 19 1HD2
17 A ASN 19 2HD2
17 A ASN 23 1HD2
17 A ASN 23 2HD2
17 A ASN 41 1HD2
17 A ASN 41 2HD2
17 A ASN 45 1HD2
17 A ASN 45 2HD2
17 A ASN 47 1HD2
17 A ASN 47 2HD2
17 A ASN 74 1HD2
17 A ASN 74 2HD2
17 A GLN 88 1HE2
17 A GLN 88 2HE2
18 A GLN 3 1HE2
18 A GLN 3 2HE2
18 A ASN 19 1HD2
18 A ASN 19 2HD2
18 A ASN 23 1HD2
18 A ASN 23 2HD2
18 A ASN 41 1HD2
18 A ASN 41 2HD2
18 A ASN 45 1HD2
18 A ASN 45 2HD2
18 A ASN 47 1HD2
18 A ASN 47 2HD2
18 A ASN 74 1HD2
18 A ASN 74 2HD2
18 A GLN 88 1HE2
18 A GLN 88 2HE2
19 A GLN 3 1HE2
19 A GLN 3 2HE2
19 A ASN 19 1HD2
19 A ASN 19 2HD2
19 A ASN 23 1HD2
19 A ASN 23 2HD2
19 A ASN 41 1HD2
19 A ASN 41 2HD2
19 A ASN 45 1HD2
19 A ASN 45 2HD2
19 A ASN 47 1HD2
19 A ASN 47 2HD2
19 A ASN 74 1HD2
19 A ASN 74 2HD2
19 A GLN 88 1HE2
19 A GLN 88 2HE2
20 A GLN 3 1HE2
20 A GLN 3 2HE2
20 A ASN 19 1HD2
20 A ASN 19 2HD2
20 A ASN 23 1HD2
20 A ASN 23 2HD2
20 A ASN 41 1HD2
20 A ASN 41 2HD2
20 A ASN 45 1HD2
20 A ASN 45 2HD2
20 A ASN 47 1HD2
20 A ASN 47 2HD2
20 A ASN 74 1HD2
20 A ASN 74 2HD2
20 A GLN 88 1HE2
20 A GLN 88 2HE2
OTHER IMPORTANT ISSUES
==> The following residues have missing atoms:
RES MOD#C SEQ ATOMS
ASP( 1 A 6) HD2
ASP( 1 A 8) HD2
GLU( 1 A 38) HE2
GLU( 1 A 48) HE2
ASP( 1 A 54) HD2
GLU( 1 A 59) HE2
GLU( 1 A 62) HE2
HIS( 1 A 63) HD1
ASP( 1 A 64) HD2
GLU( 1 A 66) HE2
GLU( 1 A 70) HE2
GLU( 1 A 79) HE2
GLU( 1 A 90) HE2
HIS( 1 A 91) HD1
HIS( 1 A 92) HD1
HIS( 1 A 93) HE2
HIS( 1 A 94) HE2
HIS( 1 A 95) HE2
HIS( 1 A 96) HE2
ASP( 2 A 6) HD2
ASP( 2 A 8) HD2
GLU( 2 A 38) HE2
GLU( 2 A 48) HE2
ASP( 2 A 54) HD2
GLU( 2 A 59) HE2
GLU( 2 A 62) HE2
HIS( 2 A 63) HD1
ASP( 2 A 64) HD2
GLU( 2 A 66) HE2
GLU( 2 A 70) HE2
GLU( 2 A 79) HE2
GLU( 2 A 90) HE2
HIS( 2 A 91) HD1
HIS( 2 A 92) HD1
HIS( 2 A 93) HE2
HIS( 2 A 94) HE2
HIS( 2 A 95) HE2
HIS( 2 A 96) HE2
ASP( 3 A 6) HD2
ASP( 3 A 8) HD2
GLU( 3 A 38) HE2
GLU( 3 A 48) HE2
ASP( 3 A 54) HD2
GLU( 3 A 59) HE2
GLU( 3 A 62) HE2
HIS( 3 A 63) HD1
ASP( 3 A 64) HD2
GLU( 3 A 66) HE2
GLU( 3 A 70) HE2
GLU( 3 A 79) HE2
GLU( 3 A 90) HE2
HIS( 3 A 91) HD1
HIS( 3 A 92) HD1
HIS( 3 A 93) HE2
HIS( 3 A 94) HD1
HIS( 3 A 95) HD1
HIS( 3 A 96) HE2
ASP( 4 A 6) HD2
ASP( 4 A 8) HD2
GLU( 4 A 38) HE2
GLU( 4 A 48) HE2
ASP( 4 A 54) HD2
GLU( 4 A 59) HE2
GLU( 4 A 62) HE2
HIS( 4 A 63) HD1
ASP( 4 A 64) HD2
GLU( 4 A 66) HE2
GLU( 4 A 70) HE2
GLU( 4 A 79) HE2
GLU( 4 A 90) HE2
HIS( 4 A 91) HE2
HIS( 4 A 92) HD1
HIS( 4 A 93) HE2
HIS( 4 A 94) HD1
HIS( 4 A 95) HD1
HIS( 4 A 96) HD1
ASP( 5 A 6) HD2
ASP( 5 A 8) HD2
GLU( 5 A 38) HE2
GLU( 5 A 48) HE2
ASP( 5 A 54) HD2
GLU( 5 A 59) HE2
GLU( 5 A 62) HE2
HIS( 5 A 63) HD1
ASP( 5 A 64) HD2
GLU( 5 A 66) HE2
GLU( 5 A 70) HE2
GLU( 5 A 79) HE2
GLU( 5 A 90) HE2
HIS( 5 A 91) HE2
HIS( 5 A 92) HE2
HIS( 5 A 93) HE2
HIS( 5 A 94) HD1
HIS( 5 A 95) HD1
HIS( 5 A 96) HD1
ASP( 6 A 6) HD2
ASP( 6 A 8) HD2
GLU( 6 A 38) HE2
GLU( 6 A 48) HE2
ASP( 6 A 54) HD2
GLU( 6 A 59) HE2
GLU( 6 A 62) HE2
HIS( 6 A 63) HD1
ASP( 6 A 64) HD2
GLU( 6 A 66) HE2
GLU( 6 A 70) HE2
GLU( 6 A 79) HE2
GLU( 6 A 90) HE2
HIS( 6 A 91) HD1
HIS( 6 A 92) HE2
HIS( 6 A 93) HD1
HIS( 6 A 94) HE2
HIS( 6 A 95) HD1
HIS( 6 A 96) HE2
ASP( 7 A 6) HD2
ASP( 7 A 8) HD2
GLU( 7 A 38) HE2
GLU( 7 A 48) HE2
ASP( 7 A 54) HD2
GLU( 7 A 59) HE2
GLU( 7 A 62) HE2
HIS( 7 A 63) HD1
ASP( 7 A 64) HD2
GLU( 7 A 66) HE2
GLU( 7 A 70) HE2
GLU( 7 A 79) HE2
GLU( 7 A 90) HE2
HIS( 7 A 91) HD1
HIS( 7 A 92) HE2
HIS( 7 A 93) HD1
HIS( 7 A 94) HE2
HIS( 7 A 95) HD1
HIS( 7 A 96) HD1
ASP( 8 A 6) HD2
ASP( 8 A 8) HD2
GLU( 8 A 38) HE2
GLU( 8 A 48) HE2
ASP( 8 A 54) HD2
GLU( 8 A 59) HE2
GLU( 8 A 62) HE2
HIS( 8 A 63) HD1
ASP( 8 A 64) HD2
GLU( 8 A 66) HE2
GLU( 8 A 70) HE2
GLU( 8 A 79) HE2
GLU( 8 A 90) HE2
HIS( 8 A 91) HE2
HIS( 8 A 92) HD1
HIS( 8 A 93) HE2
HIS( 8 A 94) HD1
HIS( 8 A 95) HE2
HIS( 8 A 96) HE2
ASP( 9 A 6) HD2
ASP( 9 A 8) HD2
GLU( 9 A 38) HE2
GLU( 9 A 48) HE2
ASP( 9 A 54) HD2
GLU( 9 A 59) HE2
GLU( 9 A 62) HE2
HIS( 9 A 63) HD1
ASP( 9 A 64) HD2
GLU( 9 A 66) HE2
GLU( 9 A 70) HE2
GLU( 9 A 79) HE2
GLU( 9 A 90) HE2
HIS( 9 A 91) HD1
HIS( 9 A 92) HD1
HIS( 9 A 93) HD1
HIS( 9 A 94) HE2
HIS( 9 A 95) HD1
HIS( 9 A 96) HD1
ASP( 10 A 6) HD2
ASP( 10 A 8) HD2
GLU( 10 A 38) HE2
GLU( 10 A 48) HE2
ASP( 10 A 54) HD2
GLU( 10 A 59) HE2
GLU( 10 A 62) HE2
HIS( 10 A 63) HD1
ASP( 10 A 64) HD2
GLU( 10 A 66) HE2
GLU( 10 A 70) HE2
GLU( 10 A 79) HE2
GLU( 10 A 90) HE2
HIS( 10 A 91) HD1
HIS( 10 A 92) HD1
HIS( 10 A 93) HD1
HIS( 10 A 94) HE2
HIS( 10 A 95) HD1
HIS( 10 A 96) HD1
ASP( 11 A 6) HD2
ASP( 11 A 8) HD2
GLU( 11 A 38) HE2
GLU( 11 A 48) HE2
ASP( 11 A 54) HD2
GLU( 11 A 59) HE2
GLU( 11 A 62) HE2
HIS( 11 A 63) HD1
ASP( 11 A 64) HD2
GLU( 11 A 66) HE2
GLU( 11 A 70) HE2
GLU( 11 A 79) HE2
GLU( 11 A 90) HE2
HIS( 11 A 91) HE2
HIS( 11 A 92) HD1
HIS( 11 A 93) HE2
HIS( 11 A 94) HD1
HIS( 11 A 95) HE2
HIS( 11 A 96) HE2
ASP( 12 A 6) HD2
ASP( 12 A 8) HD2
GLU( 12 A 38) HE2
GLU( 12 A 48) HE2
ASP( 12 A 54) HD2
GLU( 12 A 59) HE2
GLU( 12 A 62) HE2
HIS( 12 A 63) HD1
ASP( 12 A 64) HD2
GLU( 12 A 66) HE2
GLU( 12 A 70) HE2
GLU( 12 A 79) HE2
GLU( 12 A 90) HE2
HIS( 12 A 91) HE2
HIS( 12 A 92) HD1
HIS( 12 A 93) HE2
HIS( 12 A 94) HE2
HIS( 12 A 95) HE2
HIS( 12 A 96) HD1
ASP( 13 A 6) HD2
ASP( 13 A 8) HD2
GLU( 13 A 38) HE2
GLU( 13 A 48) HE2
ASP( 13 A 54) HD2
GLU( 13 A 59) HE2
GLU( 13 A 62) HE2
HIS( 13 A 63) HD1
ASP( 13 A 64) HD2
GLU( 13 A 66) HE2
GLU( 13 A 70) HE2
GLU( 13 A 79) HE2
GLU( 13 A 90) HE2
HIS( 13 A 91) HD1
HIS( 13 A 92) HD1
HIS( 13 A 93) HE2
HIS( 13 A 94) HD1
HIS( 13 A 95) HD1
HIS( 13 A 96) HD1
ASP( 14 A 6) HD2
ASP( 14 A 8) HD2
GLU( 14 A 38) HE2
GLU( 14 A 48) HE2
ASP( 14 A 54) HD2
GLU( 14 A 59) HE2
GLU( 14 A 62) HE2
HIS( 14 A 63) HD1
ASP( 14 A 64) HD2
GLU( 14 A 66) HE2
GLU( 14 A 70) HE2
GLU( 14 A 79) HE2
GLU( 14 A 90) HE2
HIS( 14 A 91) HD1
HIS( 14 A 92) HE2
HIS( 14 A 93) HE2
HIS( 14 A 94) HD1
HIS( 14 A 95) HD1
HIS( 14 A 96) HD1
ASP( 15 A 6) HD2
ASP( 15 A 8) HD2
GLU( 15 A 38) HE2
GLU( 15 A 48) HE2
ASP( 15 A 54) HD2
GLU( 15 A 59) HE2
GLU( 15 A 62) HE2
HIS( 15 A 63) HD1
ASP( 15 A 64) HD2
GLU( 15 A 66) HE2
GLU( 15 A 70) HE2
GLU( 15 A 79) HE2
GLU( 15 A 90) HE2
HIS( 15 A 91) HD1
HIS( 15 A 92) HE2
HIS( 15 A 93) HE2
HIS( 15 A 94) HD1
HIS( 15 A 95) HD1
HIS( 15 A 96) HE2
ASP( 16 A 6) HD2
ASP( 16 A 8) HD2
GLU( 16 A 38) HE2
GLU( 16 A 48) HE2
ASP( 16 A 54) HD2
GLU( 16 A 59) HE2
GLU( 16 A 62) HE2
HIS( 16 A 63) HD1
ASP( 16 A 64) HD2
GLU( 16 A 66) HE2
GLU( 16 A 70) HE2
GLU( 16 A 79) HE2
GLU( 16 A 90) HE2
HIS( 16 A 91) HD1
HIS( 16 A 92) HD1
HIS( 16 A 93) HE2
HIS( 16 A 94) HE2
HIS( 16 A 95) HD1
HIS( 16 A 96) HE2
ASP( 17 A 6) HD2
ASP( 17 A 8) HD2
GLU( 17 A 38) HE2
GLU( 17 A 48) HE2
ASP( 17 A 54) HD2
GLU( 17 A 59) HE2
GLU( 17 A 62) HE2
HIS( 17 A 63) HD1
ASP( 17 A 64) HD2
GLU( 17 A 66) HE2
GLU( 17 A 70) HE2
GLU( 17 A 79) HE2
GLU( 17 A 90) HE2
HIS( 17 A 91) HD1
HIS( 17 A 92) HE2
HIS( 17 A 93) HD1
HIS( 17 A 94) HD1
HIS( 17 A 95) HD1
HIS( 17 A 96) HD1
ASP( 18 A 6) HD2
ASP( 18 A 8) HD2
GLU( 18 A 38) HE2
GLU( 18 A 48) HE2
ASP( 18 A 54) HD2
GLU( 18 A 59) HE2
GLU( 18 A 62) HE2
HIS( 18 A 63) HD1
ASP( 18 A 64) HD2
GLU( 18 A 66) HE2
GLU( 18 A 70) HE2
GLU( 18 A 79) HE2
GLU( 18 A 90) HE2
HIS( 18 A 91) HD1
HIS( 18 A 92) HD1
HIS( 18 A 93) HD1
HIS( 18 A 94) HD1
HIS( 18 A 95) HD1
HIS( 18 A 96) HD1
ASP( 19 A 6) HD2
ASP( 19 A 8) HD2
GLU( 19 A 38) HE2
GLU( 19 A 48) HE2
ASP( 19 A 54) HD2
GLU( 19 A 59) HE2
GLU( 19 A 62) HE2
HIS( 19 A 63) HD1
ASP( 19 A 64) HD2
GLU( 19 A 66) HE2
GLU( 19 A 70) HE2
GLU( 19 A 79) HE2
GLU( 19 A 90) HE2
HIS( 19 A 91) HE2
HIS( 19 A 92) HE2
HIS( 19 A 93) HD1
HIS( 19 A 94) HE2
HIS( 19 A 95) HE2
HIS( 19 A 96) HD1
ASP( 20 A 6) HD2
ASP( 20 A 8) HD2
GLU( 20 A 38) HE2
GLU( 20 A 48) HE2
ASP( 20 A 54) HD2
GLU( 20 A 59) HE2
GLU( 20 A 62) HE2
HIS( 20 A 63) HD1
ASP( 20 A 64) HD2
GLU( 20 A 66) HE2
GLU( 20 A 70) HE2
GLU( 20 A 79) HE2
GLU( 20 A 90) HE2
HIS( 20 A 91) HD1
HIS( 20 A 92) HD1
HIS( 20 A 93) HD1
HIS( 20 A 94) HD1
HIS( 20 A 95) HE2
HIS( 20 A 96) HE2
==> The following residues have extra atoms:
RES MOD#C SEQ ATOMS
HIS( 1 A 96) O2
HIS( 2 A 96) O2
HIS( 3 A 96) O2
HIS( 4 A 96) O2
HIS( 5 A 96) O2
HIS( 6 A 96) O2
HIS( 7 A 96) O2
HIS( 8 A 96) O2
HIS( 9 A 96) O2
HIS( 10 A 96) O2
HIS( 11 A 96) O2
HIS( 12 A 96) O2
HIS( 13 A 96) O2
HIS( 14 A 96) O2
HIS( 15 A 96) O2
HIS( 16 A 96) O2
HIS( 17 A 96) O2
HIS( 18 A 96) O2
HIS( 19 A 96) O2
HIS( 20 A 96) O2
DHR29B_R3_em_bcr3.pdb: Missing KEYWDS records
DHR29B_R3_em_bcr3.pdb: Missing TITLE record